data_1xut_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 1xut _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 44.5 mttt . . . . . 0 C--O 1.233 0.202 0 CA-C-O 120.817 0.342 . . . . 0.0 111.057 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.491 ' CE1' ' HB ' ' A' ' 87' ' ' ILE . 3.2 p90 -165.13 167.41 18.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -112.94 116.37 29.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.833 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.419 ' HB3' ' HB2' ' A' ' 83' ' ' LEU . 2.0 t0 -88.89 104.91 17.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.583 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 26.3 t60 -51.55 -60.34 3.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.848 -179.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -46.81 -28.3 1.51 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.52 -179.491 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.419 ' HB2' ' HB3' ' A' ' 80' ' ' ASP . 76.4 mt -94.09 -28.13 15.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.923 0.392 . . . . 0.0 111.019 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 7.1 ttt-85 69.13 12.28 8.46 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.999 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -120.81 -179.36 3.98 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.602 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 7.8 p -103.73 109.91 21.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.38 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.491 ' HB ' ' CE1' ' A' ' 78' ' ' PHE . 2.6 mp -107.23 150.43 9.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.235 -179.337 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.22 168.32 11.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.918 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 75.1 m -108.0 -30.66 8.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.983 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.464 ' CB ' ' CZ ' ' A' ' 103' ' ' PHE . . . -74.81 -31.22 61.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.206 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.59 -24.81 60.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.153 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.406 ' CG1' ' HB3' ' A' ' 96' ' ' HIS . 11.3 pt -110.22 26.47 2.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.608 -179.737 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.6 m -60.84 123.89 18.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.946 0.403 . . . . 0.0 110.846 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 103.4 -28.65 14.72 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.24 -179.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -138.88 60.12 1.6 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.007 0.432 . . . . 0.0 110.599 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . 0.452 ' CD2' ' CB ' ' A' ' 100' ' ' CYS . 30.3 p-80 -132.12 157.06 79.24 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.107 -179.649 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -58.45 -176.62 0.09 OUTLIER 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.603 2.202 . . . . 0.0 112.065 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.67 -34.11 75.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.25 -179.652 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.423 ' O ' ' CE2' ' A' ' 102' ' ' TYR . 0.0 OUTLIER -54.85 -37.5 66.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.3 -179.736 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . 0.452 ' CB ' ' CD2' ' A' ' 96' ' ' HIS . 35.3 m -90.92 14.93 12.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.388 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -68.19 -25.92 65.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.799 0.333 . . . . 0.0 111.404 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.423 ' CE2' ' O ' ' A' ' 99' ' ' GLN . 13.0 p90 -68.23 -10.77 56.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.586 -179.699 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.464 ' CZ ' ' CB ' ' A' ' 90' ' ' ALA . 1.0 OUTLIER -94.58 -69.23 0.76 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.701 0.286 . . . . 0.0 111.233 -179.756 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 76.2 m -126.97 79.48 1.88 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.116 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -166.27 -173.41 2.55 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.886 0.374 . . . . 0.0 111.098 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 7.8 p30 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.219 -179.908 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 27.5 mttt . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.784 0.326 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.406 ' CZ ' ' HB ' ' A' ' 87' ' ' ILE . 36.7 p90 -118.64 169.64 9.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.763 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -117.19 130.88 56.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.857 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -104.92 121.07 42.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.645 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 56.2 p-80 -69.13 -49.14 59.69 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.682 -179.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -54.96 -23.07 17.32 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.661 0.267 . . . . 0.0 111.225 -179.792 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 24.1 mt -102.22 -25.12 13.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.965 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 69.43 15.8 8.31 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.005 -179.731 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -124.83 175.77 7.05 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.716 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 7.9 m -103.65 98.52 8.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.457 179.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.41 ' CD1' ' N ' ' A' ' 87' ' ' ILE . 3.4 mp -89.07 123.96 41.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.31 -179.521 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.5 p -77.9 168.73 19.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.825 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 14.7 m -93.53 -43.36 8.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.91 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.447 ' HB3' ' CZ ' ' A' ' 103' ' ' PHE . . . -64.84 -29.49 70.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.366 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 41.9 t -72.4 -16.52 61.84 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.507 -179.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 10.5 pt -118.4 25.37 4.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 N-CA-C 111.666 0.247 . . . . 0.0 111.666 -179.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.6 m -57.5 116.8 3.59 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.973 0.416 . . . . 0.0 111.02 179.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 122.72 -47.99 0.98 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.096 -179.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -130.55 65.1 1.54 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.025 0.441 . . . . 0.0 110.444 179.609 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . 0.442 ' HB2' ' HD2' ' A' ' 97' ' ' PRO . 1.9 p-80 -126.2 159.27 63.25 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.026 -179.554 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.442 ' HD2' ' HB2' ' A' ' 96' ' ' HIS . 20.5 Cg_endo -60.78 170.06 5.0 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.534 2.156 . . . . 0.0 112.245 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.2 -26.68 61.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.252 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.406 ' O ' ' CE2' ' A' ' 102' ' ' TYR . 1.3 tt0 -61.6 -35.83 78.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.444 -0.343 . . . . 0.0 111.182 -179.724 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . 0.413 ' HB2' ' CG ' ' A' ' 96' ' ' HIS . 81.2 m -94.53 24.42 4.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.171 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -78.22 -19.8 53.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.561 -0.291 . . . . 0.0 111.537 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.406 ' CE2' ' O ' ' A' ' 99' ' ' GLN . 28.1 p90 -76.3 -5.1 45.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.619 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.447 ' CZ ' ' HB3' ' A' ' 90' ' ' ALA . 0.7 OUTLIER -100.65 -69.16 0.78 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.842 0.353 . . . . 0.0 111.05 -179.722 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 60.6 m -129.5 85.09 2.27 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.565 179.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -160.88 -172.84 3.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.024 0.44 . . . . 0.0 111.167 -179.82 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 4.0 p30 . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.34 -179.927 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.1 mttp . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.891 0.377 . . . . 0.0 110.727 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.417 ' CE1' ' HB ' ' A' ' 87' ' ' ILE . 34.1 p90 -132.48 172.21 12.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.073 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -117.12 121.05 40.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.721 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -93.42 120.01 33.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.622 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 8.1 p80 -66.96 -48.88 67.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.539 -179.381 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -57.11 -21.91 35.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.71 0.29 . . . . 0.0 111.31 -179.737 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 32.1 mt -105.59 -23.29 12.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.089 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 4.3 mmt180 66.7 16.73 10.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.957 -179.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -122.87 175.92 6.28 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.71 179.775 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 19.8 t -103.71 99.46 9.25 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.944 0.402 . . . . 0.0 110.57 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.426 ' CD1' ' N ' ' A' ' 87' ' ' ILE . 3.1 mp -97.84 134.2 36.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.408 -179.343 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.404 ' O ' HG12 ' A' ' 92' ' ' ILE . 1.2 m -91.62 168.81 11.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.571 179.689 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 23.7 m -93.46 -54.04 3.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.797 0.332 . . . . 0.0 110.904 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.446 ' CB ' ' CE2' ' A' ' 103' ' ' PHE . . . -55.09 -28.55 53.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.46 -179.762 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.34 -2.01 47.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.746 -179.689 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.404 HG12 ' O ' ' A' ' 88' ' ' SER . 6.1 pt -128.82 25.39 2.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 N-CA-C 111.79 0.292 . . . . 0.0 111.79 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.6 m -58.03 116.93 3.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.917 0.389 . . . . 0.0 110.893 179.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 118.71 -43.43 1.59 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.98 -0.629 . . . . 0.0 112.072 -179.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -131.41 65.15 1.57 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.976 0.417 . . . . 0.0 110.33 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . 0.492 ' HB2' ' HD2' ' A' ' 97' ' ' PRO . 1.9 p-80 -131.98 160.16 68.97 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.285 -179.408 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.492 ' HD2' ' HB2' ' A' ' 96' ' ' HIS . 24.1 Cg_endo -61.4 -177.03 0.19 Allowed 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.676 2.251 . . . . 0.0 112.428 179.8 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 8.8 ttpt -64.92 -40.49 95.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.403 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.427 ' O ' ' CE2' ' A' ' 102' ' ' TYR . 0.0 OUTLIER -54.0 -31.37 50.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.473 -179.504 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . 0.403 ' HB2' ' CG ' ' A' ' 96' ' ' HIS . 70.8 m -94.04 19.79 8.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.532 -0.303 . . . . 0.0 111.076 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -78.42 -26.12 46.25 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.789 0.328 . . . . 0.0 111.659 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.427 ' CE2' ' O ' ' A' ' 99' ' ' GLN . 26.4 p90 -66.96 -12.44 59.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.542 -179.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.446 ' CE2' ' CB ' ' A' ' 90' ' ' ALA . 0.6 OUTLIER -94.48 -69.88 0.73 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.713 0.292 . . . . 0.0 111.014 -179.692 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 58.0 m -129.34 92.03 3.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.752 179.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -165.83 -172.83 2.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.936 0.398 . . . . 0.0 111.068 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 3.3 p30 . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.289 179.986 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.7 mmtm . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.84 0.352 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.524 ' CZ ' ' HB ' ' A' ' 87' ' ' ILE . 19.5 p90 -159.28 168.18 27.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.768 179.673 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -117.06 126.79 53.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.135 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.41 ' HB3' ' HB2' ' A' ' 83' ' ' LEU . 9.0 t0 -96.37 119.66 35.26 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.2 179.488 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.415 ' CG ' ' N ' ' A' ' 82' ' ' LEU . 39.8 p-80 -67.58 -49.14 64.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.956 -179.003 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.415 ' N ' ' CG ' ' A' ' 81' ' ' HIS . 0.5 OUTLIER -62.88 -16.02 57.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.611 0.244 . . . . 0.0 111.451 -179.58 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.41 ' HB2' ' HB3' ' A' ' 80' ' ' ASP . 45.8 mt -105.03 -24.87 12.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.774 0.321 . . . . 0.0 111.167 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 67.62 14.73 9.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.242 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -123.14 172.04 8.87 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.794 0.331 . . . . 0.0 110.776 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 37.5 t -103.61 97.55 7.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.386 179.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.524 ' HB ' ' CZ ' ' A' ' 78' ' ' PHE . 3.2 mp -84.64 148.83 4.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.241 -179.451 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.0 m -92.45 168.05 11.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.917 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 66.3 m -107.27 -48.17 3.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.084 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.432 ' HB1' ' CE2' ' A' ' 103' ' ' PHE . . . -57.38 -30.66 65.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.282 -179.785 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.12 -21.09 59.09 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.258 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 7.9 pt -115.3 24.0 5.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.621 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . 0.452 ' HA ' ' CE1' ' A' ' 96' ' ' HIS . 1.6 m -62.48 116.71 5.34 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.975 0.417 . . . . 0.0 110.878 179.699 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 114.4 -28.28 8.36 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.94 -0.648 . . . . 0.0 112.328 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 20.9 mm-40 -140.01 49.04 1.77 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.975 0.417 . . . . 0.0 110.651 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . 0.452 ' CE1' ' HA ' ' A' ' 93' ' ' CYS . 1.9 p-80 -121.14 159.21 50.49 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.844 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.449 ' HD2' ' HB2' ' A' ' 96' ' ' HIS . 31.3 Cg_endo -63.95 179.59 1.04 Allowed 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.477 2.118 . . . . 0.0 112.107 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 5.6 ttpt -62.93 -24.26 67.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.283 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -60.99 -39.61 90.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.142 -179.785 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 64.0 m -94.3 27.36 2.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.167 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -77.11 -31.23 55.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.823 0.344 . . . . 0.0 111.135 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 29.4 p90 -60.9 -20.05 61.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.204 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.432 ' CE2' ' HB1' ' A' ' 90' ' ' ALA . 0.3 OUTLIER -86.71 -69.9 0.64 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.134 -179.633 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 24.8 m -132.53 95.46 3.62 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.921 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -166.07 -175.64 3.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.928 0.394 . . . . 0.0 111.052 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.177 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.79 0.328 . . . . 0.0 110.827 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.496 ' CE1' ' HB ' ' A' ' 87' ' ' ILE . 4.6 p90 -117.35 164.45 14.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.963 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -112.01 130.72 55.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.998 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -106.49 112.3 25.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.579 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 54.1 p-80 -61.8 -48.82 78.9 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.804 -179.286 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.89 -23.3 18.03 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.704 0.287 . . . . 0.0 111.237 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 36.4 mt -102.78 -24.03 13.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.078 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 10.3 mtt180 67.6 14.52 9.57 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.18 -179.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -123.42 175.81 6.52 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.645 179.738 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 1.7 m -103.72 103.93 13.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.312 179.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.496 ' HB ' ' CE1' ' A' ' 78' ' ' PHE . 2.9 mp -97.72 156.0 3.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.484 -179.281 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.6 m -93.18 163.19 13.72 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.69 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 56.0 m -106.94 -33.47 7.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.82 0.343 . . . . 0.0 111.039 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.449 ' HB1' ' CE2' ' A' ' 103' ' ' PHE . . . -71.82 -23.66 61.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.359 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.24 -19.9 35.54 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.364 -179.672 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 14.6 pt -113.8 25.22 4.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 111.699 0.259 . . . . 0.0 111.699 -179.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . 0.446 ' HA ' ' CE1' ' A' ' 96' ' ' HIS . 1.6 m -64.35 116.71 6.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.951 0.405 . . . . 0.0 110.878 179.714 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 118.64 -28.59 6.69 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.271 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.51 56.9 1.23 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.983 0.42 . . . . 0.0 110.473 179.801 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . 0.446 ' CE1' ' HA ' ' A' ' 93' ' ' CYS . 1.8 p-80 -124.29 159.71 55.98 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.052 -179.688 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.433 ' HD2' ' HB2' ' A' ' 96' ' ' HIS . 34.5 Cg_endo -64.79 -177.0 0.49 Allowed 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.483 2.122 . . . . 0.0 112.154 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 6.0 ttpt -63.61 -29.46 70.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.107 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.6 -37.93 71.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.173 -179.775 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . 0.404 ' HB2' ' HB2' ' A' ' 96' ' ' HIS . 87.0 m -98.64 26.99 5.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.171 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -78.7 -21.95 47.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.352 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 29.4 p90 -72.11 -24.39 61.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.216 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.449 ' CE2' ' HB1' ' A' ' 90' ' ' ALA . 0.3 OUTLIER -80.1 -70.25 0.53 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.048 -179.624 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 18.6 m -132.69 96.43 3.81 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.77 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -166.15 -172.7 2.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.955 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 7.4 p30 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.168 179.997 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.4 tttt . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.769 0.319 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.464 ' CE1' ' HB ' ' A' ' 87' ' ' ILE . 2.7 p90 -126.95 169.19 13.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.947 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -109.98 133.93 52.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.825 179.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -106.87 141.7 37.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.387 179.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 38.8 p-80 -82.51 -52.16 7.11 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.655 -179.321 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.84 -17.84 52.25 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.619 0.247 . . . . 0.0 111.213 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 45.2 mt -101.51 -27.78 12.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.862 0.363 . . . . 0.0 110.858 179.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? 65.47 18.42 11.29 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.959 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -131.22 -179.81 5.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.735 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 31.8 t -103.93 109.71 21.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.49 179.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.464 ' HB ' ' CE1' ' A' ' 78' ' ' PHE . 3.4 mp -106.66 160.65 6.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.293 -179.44 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -94.8 168.15 10.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.392 179.599 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 68.6 m -104.8 -27.79 11.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.135 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.405 ' HB3' ' CZ ' ' A' ' 103' ' ' PHE . . . -74.25 -23.03 59.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.352 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -86.44 -22.47 26.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.422 -179.766 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 18.7 pt -108.06 23.61 3.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.574 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . 0.481 ' HA ' ' CE1' ' A' ' 96' ' ' HIS . 1.6 m -66.46 116.82 7.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.963 0.411 . . . . 0.0 111.067 179.775 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 124.81 -36.78 2.76 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.921 -0.657 . . . . 0.0 112.331 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -143.08 58.4 1.41 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.926 0.393 . . . . 0.0 110.662 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . 0.481 ' CE1' ' HA ' ' A' ' 93' ' ' CYS . 1.6 p-80 -120.59 160.31 44.69 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.008 -179.748 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.451 ' HD2' ' HB2' ' A' ' 96' ' ' HIS . 40.8 Cg_endo -67.77 176.29 5.33 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.394 2.062 . . . . 0.0 112.076 179.751 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.03 -27.95 64.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.191 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.409 ' HG2' ' CD2' ' A' ' 78' ' ' PHE . 0.8 OUTLIER -56.39 -42.32 77.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.172 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . 0.41 ' HB2' ' HB2' ' A' ' 96' ' ' HIS . 55.0 m -95.5 24.62 5.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.936 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.446 ' HA ' ' HB2' ' A' ' 105' ' ' GLU . . . -76.26 -17.58 59.41 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.366 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 25.8 p90 -77.63 -3.35 40.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.499 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.405 ' CZ ' ' HB3' ' A' ' 90' ' ' ALA . 0.3 OUTLIER -103.35 -69.26 0.8 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.78 0.324 . . . . 0.0 110.804 -179.637 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 13.1 m -134.31 84.94 2.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.547 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.446 ' HB2' ' HA ' ' A' ' 101' ' ' ALA . 0.0 OUTLIER -146.11 -173.37 4.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.022 0.439 . . . . 0.0 111.2 -179.727 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 6.1 p30 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.946 179.92 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.2 mptt . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.739 0.304 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.462 ' CZ ' ' HB ' ' A' ' 87' ' ' ILE . 26.9 p90 -144.42 167.06 23.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.07 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -117.43 125.9 51.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.485 179.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -95.45 126.14 40.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.76 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 56.7 p-80 -71.44 -49.04 45.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.624 -179.403 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.42 -20.42 44.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.201 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 47.6 mt -104.93 -25.03 12.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.891 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 4.4 tmm_? 65.41 16.67 10.64 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.101 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -120.15 175.6 5.86 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.809 0.338 . . . . 0.0 110.758 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 5.3 p -103.87 94.17 5.27 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.585 179.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.462 ' HB ' ' CZ ' ' A' ' 78' ' ' PHE . 3.8 mp -84.46 148.46 4.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.085 -179.734 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.54 168.17 9.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.805 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 71.9 m -100.81 -45.08 5.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.07 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -53.11 -26.06 15.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.435 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.21 -24.25 34.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.292 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 7.3 pt -113.0 22.26 5.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.563 -0.289 . . . . 0.0 111.659 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . 0.431 ' HA ' ' CE1' ' A' ' 96' ' ' HIS . 1.6 m -60.51 116.93 4.7 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.934 0.397 . . . . 0.0 111.065 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 118.12 -34.22 4.54 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.909 -0.663 . . . . 0.0 112.256 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -139.03 57.58 1.66 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.886 0.374 . . . . 0.0 110.713 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . 0.431 ' CE1' ' HA ' ' A' ' 93' ' ' CYS . 2.0 p-80 -126.94 155.69 75.27 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.144 -179.786 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -63.52 175.52 2.75 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.646 2.231 . . . . 0.0 112.127 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.15 -25.0 60.94 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.978 179.795 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.412 ' O ' ' CE2' ' A' ' 102' ' ' TYR . 0.1 OUTLIER -60.49 -17.99 48.76 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.022 179.754 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 53.7 m -122.01 16.44 10.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.902 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.416 ' HA ' ' HB2' ' A' ' 105' ' ' GLU . . . -69.85 -20.55 63.41 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.705 -179.715 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.412 ' CE2' ' O ' ' A' ' 99' ' ' GLN . 13.6 p90 -76.84 -13.45 60.0 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 111.812 0.301 . . . . 0.0 111.812 -179.661 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -89.52 -68.63 0.76 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.763 0.316 . . . . 0.0 110.931 -179.734 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 57.0 m -128.95 81.27 2.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.754 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.416 ' HB2' ' HA ' ' A' ' 101' ' ' ALA . 0.0 OUTLIER -166.19 -173.0 2.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.948 0.404 . . . . 0.0 111.251 -179.931 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.259 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.0 mttm . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.916 0.389 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.477 ' CZ ' ' HB ' ' A' ' 87' ' ' ILE . 50.5 p90 -113.47 177.45 4.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.863 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -117.47 125.63 51.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.927 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -111.95 111.76 22.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.597 179.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.405 ' CG ' ' N ' ' A' ' 82' ' ' LEU . 36.7 p-80 -53.46 -49.11 68.12 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.961 -179.255 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.405 ' N ' ' CG ' ' A' ' 81' ' ' HIS . 1.9 pp -56.45 -21.83 28.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.667 0.27 . . . . 0.0 111.324 -179.686 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 23.8 mt -103.02 -25.4 13.45 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.929 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 66.16 18.53 10.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.179 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -134.03 178.6 6.83 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.771 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 9.0 p -103.43 98.01 7.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.24 179.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.477 ' HB ' ' CZ ' ' A' ' 78' ' ' PHE . 4.6 mp -83.73 146.74 6.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.817 -0.628 . . . . 0.0 111.371 -179.252 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -85.84 168.14 14.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.024 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 62.5 m -102.36 -44.86 5.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.934 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.434 ' CB ' ' CZ ' ' A' ' 103' ' ' PHE . . . -57.63 -34.91 69.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.26 -179.776 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 77.5 p -70.86 -17.24 62.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.486 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 6.3 pt -120.71 24.6 4.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 N-CA-C 111.688 0.255 . . . . 0.0 111.688 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . 0.44 ' HA ' ' CE1' ' A' ' 96' ' ' HIS . 1.6 m -61.33 116.72 4.85 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.955 0.407 . . . . 0.0 110.875 179.564 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 112.28 -28.07 9.51 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.353 -179.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -137.68 46.94 2.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.929 0.395 . . . . 0.0 110.697 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . 0.451 ' HB2' ' HD2' ' A' ' 97' ' ' PRO . 2.0 p-80 -120.9 159.81 47.43 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.96 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.451 ' HD2' ' HB2' ' A' ' 96' ' ' HIS . 29.1 Cg_endo -63.29 171.61 6.29 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.436 2.091 . . . . 0.0 111.998 179.773 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.6 ttpt -57.32 -25.05 58.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.331 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -60.81 -35.33 76.22 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.309 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . 0.431 ' HB2' ' CG ' ' A' ' 96' ' ' HIS . 63.5 m -94.16 26.69 3.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.031 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -75.85 -30.02 58.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.925 0.393 . . . . 0.0 111.305 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 30.9 p90 -63.85 -16.96 62.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.278 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.434 ' CZ ' ' CB ' ' A' ' 90' ' ' ALA . 0.4 OUTLIER -90.04 -68.53 0.78 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.772 0.32 . . . . 0.0 110.881 -179.816 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 35.2 m -133.77 95.69 3.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.81 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -165.52 -172.9 2.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.124 0.487 . . . . 0.0 111.38 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 5.1 p30 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.396 -179.861 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 12.2 mmtm . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.709 0.29 . . . . 0.0 110.739 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.45 ' CE1' ' HB ' ' A' ' 87' ' ' ILE . 1.9 p90 -151.08 174.91 12.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.898 0.38 . . . . 0.0 111.085 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -117.21 137.84 52.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.932 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -112.7 130.77 55.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.608 179.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 69.0 t60 -68.65 -59.9 2.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.448 -179.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -48.13 -28.47 2.95 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.746 0.308 . . . . 0.0 111.202 -179.757 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 45.0 mt -96.42 -27.11 15.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.794 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 54.2 mtt180 64.4 17.76 10.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.196 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -124.82 -178.97 4.33 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.878 0.37 . . . . 0.0 111.028 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 2.0 p -104.66 100.82 10.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.657 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.45 ' HB ' ' CE1' ' A' ' 78' ' ' PHE . 3.4 mp -94.41 159.36 2.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.249 -179.58 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -94.97 160.67 14.47 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.086 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 1.8 m -110.62 2.1 18.42 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.386 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.45 ' CB ' ' CZ ' ' A' ' 103' ' ' PHE . . . -99.07 -31.78 11.6 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.81 0.338 . . . . 0.0 111.23 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 65.6 p -85.66 -13.95 46.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.308 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 18.5 pt -95.88 26.26 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.626 0.251 . . . . 0.0 111.498 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.7 m -60.83 131.71 51.55 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.908 0.385 . . . . 0.0 110.635 179.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 97.16 -25.68 25.96 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.339 -179.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.3 mm100 -137.93 40.38 2.34 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.734 0.302 . . . . 0.0 111.174 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . 0.439 ' CE1' ' HB2' ' A' ' 104' ' ' CYS . 23.3 p-80 -100.75 157.72 33.19 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.815 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -65.27 176.85 2.94 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.521 2.147 . . . . 0.0 112.304 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 3.9 ttpt -69.01 -32.01 71.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.023 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -58.54 -41.97 86.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.017 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 7.0 m -100.79 27.75 5.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.107 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.402 ' O ' ' HB2' ' A' ' 105' ' ' GLU . . . -69.15 -15.77 63.49 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.292 179.715 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 16.4 p90 -77.04 -0.38 24.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.265 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.45 ' CZ ' ' CB ' ' A' ' 90' ' ' ALA . 1.5 t80 -93.43 -58.06 2.4 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.641 0.258 . . . . 0.0 111.531 -179.271 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . 0.439 ' HB2' ' CE1' ' A' ' 96' ' ' HIS . 13.0 m -139.25 38.09 2.09 Favored 'General case' 0 CA--C 1.53 0.176 0 N-CA-C 111.73 0.27 . . . . 0.0 111.73 -179.162 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.402 ' HB2' ' O ' ' A' ' 101' ' ' ALA . 1.8 tt0 -117.98 -172.14 2.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.717 0.294 . . . . 0.0 110.757 179.609 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 7.0 p30 . . . . . 0 N--CA 1.464 0.235 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.646 -179.664 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 13.9 mttt . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.791 0.329 . . . . 0.0 110.74 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.435 ' CZ ' ' HB ' ' A' ' 87' ' ' ILE . 39.5 p90 -131.69 173.37 11.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.965 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -115.13 118.17 32.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.672 179.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.418 ' HB3' ' HB2' ' A' ' 83' ' ' LEU . 11.6 t0 -94.22 116.9 29.36 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.878 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 24.3 p80 -61.32 -49.27 77.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.202 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.14 -22.11 26.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.445 -179.709 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.418 ' HB2' ' HB3' ' A' ' 80' ' ' ASP . 82.0 mt -104.26 -25.63 12.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.752 0.31 . . . . 0.0 111.267 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 4.3 ttm180 71.64 9.82 6.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.096 -179.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -123.23 -178.87 4.1 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.744 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 9.1 t -103.66 107.08 17.78 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.629 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.435 ' HB ' ' CZ ' ' A' ' 78' ' ' PHE . 3.1 mp -105.93 152.87 7.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.401 -179.463 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -101.06 165.87 11.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.565 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 50.9 m -97.51 -40.09 8.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.869 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.442 ' HB1' ' CE2' ' A' ' 103' ' ' PHE . . . -62.87 -37.18 85.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.131 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.8 m -69.49 -11.56 60.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.636 -179.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.4 ' CG1' ' HB3' ' A' ' 96' ' ' HIS . 12.5 pt -125.21 24.02 3.39 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 N-CA-C 111.684 0.253 . . . . 0.0 111.684 -179.682 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . 0.438 ' HA ' ' CE1' ' A' ' 96' ' ' HIS . 1.5 m -63.01 117.84 7.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.052 0.453 . . . . 0.0 111.085 179.628 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 118.64 -37.59 3.16 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.171 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -138.27 58.23 1.68 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.983 0.42 . . . . 0.0 110.449 179.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . 0.438 ' CE1' ' HA ' ' A' ' 93' ' ' CYS . 1.6 p-80 -123.04 164.06 29.68 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.146 -179.478 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_exo -56.72 -178.01 0.07 OUTLIER 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.615 2.21 . . . . 0.0 112.115 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.6 -17.45 60.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.189 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.406 ' O ' ' CE2' ' A' ' 102' ' ' TYR . 3.4 pt20 -73.2 -30.56 63.61 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.047 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 68.6 m -94.01 24.08 4.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.996 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.428 ' HA ' ' HB2' ' A' ' 105' ' ' GLU . . . -76.56 -24.33 53.57 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.217 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.406 ' CE2' ' O ' ' A' ' 99' ' ' GLN . 19.9 p90 -69.22 -18.91 63.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.328 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.442 ' CE2' ' HB1' ' A' ' 90' ' ' ALA . 0.3 OUTLIER -88.01 -56.99 3.1 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.747 0.308 . . . . 0.0 110.769 -179.91 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 16.2 m -148.7 101.14 3.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.69 179.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.428 ' HB2' ' HA ' ' A' ' 101' ' ' ALA . 0.0 OUTLIER -164.22 -172.63 2.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.987 0.422 . . . . 0.0 111.165 179.909 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 2.9 p30 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.304 -179.91 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 19.2 mttt . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.901 0.381 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.458 ' CE1' ' HB ' ' A' ' 87' ' ' ILE . 4.1 p90 -131.09 174.12 10.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.692 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -117.14 135.17 53.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.05 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -114.92 111.76 21.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.531 179.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 8.0 p80 -55.56 -50.68 69.39 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.88 -179.145 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.46 -23.41 15.97 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.717 0.294 . . . . 0.0 111.333 -179.603 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 23.2 mt -98.92 -25.39 14.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.821 0.343 . . . . 0.0 110.948 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 66.74 17.48 10.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.1 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 58.9 m-20 -131.53 178.61 6.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.707 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 5.1 p -103.83 106.57 17.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.02 0.438 . . . . 0.0 110.47 179.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.458 ' HB ' ' CE1' ' A' ' 78' ' ' PHE . 3.1 mp -98.58 146.35 8.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.286 -179.508 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.04 168.35 17.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.659 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 42.3 m -104.53 -41.2 5.78 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.996 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.423 ' HB3' ' CZ ' ' A' ' 103' ' ' PHE . . . -65.61 -35.41 80.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.172 -179.817 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.42 -14.79 62.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.447 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 5.9 pt -119.63 21.59 5.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.7 -0.227 . . . . 0.0 111.562 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . 0.461 ' HA ' ' CE1' ' A' ' 96' ' ' HIS . 1.5 m -60.46 116.69 4.5 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.021 0.439 . . . . 0.0 110.91 179.613 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 118.27 -26.62 7.71 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.218 -179.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 5.3 mm100 -148.12 55.71 1.05 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.964 0.412 . . . . 0.0 110.817 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . 0.461 ' CE1' ' HA ' ' A' ' 93' ' ' CYS . 2.0 p-80 -123.62 159.2 56.6 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.911 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.425 ' HD2' ' HB2' ' A' ' 96' ' ' HIS . 21.0 Cg_endo -60.94 170.41 4.77 Favored 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.547 2.164 . . . . 0.0 112.044 179.81 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 11.6 ttpt -56.03 -29.2 60.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.194 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -57.2 -36.68 71.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.167 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . 0.412 ' HB2' ' CG ' ' A' ' 96' ' ' HIS . 96.1 m -94.28 21.82 6.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.98 179.818 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.411 ' HA ' ' HB2' ' A' ' 105' ' ' GLU . . . -74.55 -22.08 59.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.481 -179.833 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 22.8 p90 -72.28 -10.0 59.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.41 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.423 ' CZ ' ' HB3' ' A' ' 90' ' ' ALA . 0.3 OUTLIER -98.0 -68.99 0.78 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.76 0.314 . . . . 0.0 110.798 -179.771 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 17.5 m -134.64 92.61 2.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.654 179.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.411 ' HB2' ' HA ' ' A' ' 101' ' ' ALA . 1.1 mm-40 -154.56 -171.78 3.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.096 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 . . . . . 0 N--CA 1.467 0.379 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.665 -179.716 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.809 0.337 . . . . 0.0 110.824 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.464 ' CZ ' ' HB ' ' A' ' 87' ' ' ILE . 39.0 p90 -112.87 170.81 7.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.766 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 13.6 t80 -117.17 135.09 54.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.106 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -113.85 99.69 7.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.549 179.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 55.4 t60 -49.94 -53.28 27.22 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.715 -179.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.59 -28.29 3.35 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.871 0.367 . . . . 0.0 110.98 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 38.0 mt -98.34 -24.18 15.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.821 179.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 69.52 12.47 8.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.117 -179.753 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -122.75 174.98 6.78 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.514 179.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 3.3 m -104.08 98.98 8.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.613 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.464 ' HB ' ' CZ ' ' A' ' 78' ' ' PHE . 3.6 mp -90.63 149.52 4.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.183 -179.746 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -109.07 168.64 9.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.001 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 76.9 m -93.29 -35.15 13.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.658 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.405 ' HB1' ' CE2' ' A' ' 103' ' ' PHE . . . -70.55 -30.68 67.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.4 m -69.7 -16.98 63.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.132 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.422 HG13 ' H ' ' A' ' 93' ' ' CYS . 0.5 OUTLIER -108.21 -85.89 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.231 179.821 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . 0.422 ' H ' HG13 ' A' ' 92' ' ' ILE . 1.6 m 57.39 116.75 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.094 0.473 . . . . 0.0 111.654 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 110.62 -38.62 3.22 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.946 179.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 65.7 mm-40 -138.63 43.67 2.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.921 0.391 . . . . 0.0 111.0 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . 0.401 ' HB3' ' CD1' ' A' ' 92' ' ' ILE . 2.0 p-80 -104.96 160.89 24.44 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.0 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -60.01 172.86 2.08 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.49 2.126 . . . . 0.0 111.937 179.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.35 -20.59 64.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.169 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.413 ' O ' ' CE2' ' A' ' 102' ' ' TYR . 1.3 pt20 -67.39 -39.17 85.57 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.325 -179.773 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 59.0 m -87.87 13.6 10.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.463 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.418 ' HA ' ' HB2' ' A' ' 105' ' ' GLU . . . -64.94 -16.05 62.86 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.59 0.233 . . . . 0.0 111.616 -179.77 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.413 ' CE2' ' O ' ' A' ' 99' ' ' GLN . 10.5 p90 -80.41 -0.94 39.28 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.741 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.405 ' CE2' ' HB1' ' A' ' 90' ' ' ALA . 0.8 OUTLIER -103.95 -68.29 0.85 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.811 0.339 . . . . 0.0 110.846 -179.897 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 72.2 m -130.29 81.45 2.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.588 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.418 ' HB2' ' HA ' ' A' ' 101' ' ' ALA . 3.0 mt-10 -166.01 -172.24 2.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.948 0.404 . . . . 0.0 111.47 -179.748 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.466 0.36 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.379 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.9 mttm . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.884 0.373 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.444 ' CZ ' ' HB ' ' A' ' 87' ' ' ILE . 33.6 p90 -163.52 171.12 16.31 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.832 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -115.29 133.29 56.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.914 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 57.5 t0 -109.27 130.33 55.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.758 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 54.5 p-80 -73.11 -49.78 26.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.601 -179.378 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.71 -21.67 42.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.209 -179.763 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 45.2 mt -104.75 -25.05 12.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.013 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 66.99 15.63 10.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.961 -179.812 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -124.32 176.85 6.18 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.863 0.363 . . . . 0.0 110.724 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 2.7 t -103.92 91.91 4.18 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.377 179.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.444 ' HB ' ' CZ ' ' A' ' 78' ' ' PHE . 3.9 mp -81.12 152.48 4.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.211 -179.59 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -99.32 168.24 10.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.084 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 95.9 m -94.31 -38.07 11.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.853 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -57.01 -45.43 83.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.434 -179.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -63.31 -16.76 61.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.459 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 16.4 pt -121.34 24.48 4.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 N-CA-C 111.746 0.276 . . . . 0.0 111.746 -179.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . 0.45 ' HA ' ' CE1' ' A' ' 96' ' ' HIS . 1.6 m -63.37 120.07 10.9 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.94 0.4 . . . . 0.0 111.013 179.758 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 120.04 -41.19 2.01 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.386 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -137.93 62.01 1.58 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.971 0.415 . . . . 0.0 110.671 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . 0.45 ' CE1' ' HA ' ' A' ' 93' ' ' CYS . 1.7 p-80 -126.32 163.09 42.37 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.912 -179.811 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.85 176.89 0.06 OUTLIER 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.579 2.186 . . . . 0.0 112.122 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 9.3 ttpt -70.28 -31.03 68.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.991 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.433 ' O ' ' CE2' ' A' ' 102' ' ' TYR . 0.6 OUTLIER -59.75 -31.9 70.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.062 -179.778 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 20.8 m -90.8 25.94 2.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.024 179.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.507 ' HA ' ' HB2' ' A' ' 105' ' ' GLU . . . -78.74 -30.54 45.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.908 0.385 . . . . 0.0 111.281 -179.768 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.433 ' CE2' ' O ' ' A' ' 99' ' ' GLN . 11.4 p90 -61.09 -18.09 56.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.359 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -89.85 -69.71 0.71 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.753 0.311 . . . . 0.0 111.032 -179.516 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 37.6 m -132.65 92.08 3.01 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.618 179.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.507 ' HB2' ' HA ' ' A' ' 101' ' ' ALA . 0.2 OUTLIER -166.47 -172.0 2.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.988 0.423 . . . . 0.0 111.281 -179.785 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.467 0.378 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.275 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 10.9 mttt . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.896 0.379 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.491 ' CE1' ' HB ' ' A' ' 87' ' ' ILE . 10.3 p90 -123.07 176.85 5.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -116.89 109.66 17.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.738 179.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -90.47 113.82 25.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.715 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 15.0 p80 -55.31 -48.78 73.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.704 -179.426 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.3 pp -57.63 -19.87 29.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.734 0.302 . . . . 0.0 111.406 -179.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 46.7 mt -104.72 -23.43 13.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.075 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 3.3 mpp_? 63.46 18.0 10.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 -179.562 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 52.8 m-20 -132.22 -179.33 5.36 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.746 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 13.6 p -103.85 107.19 17.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.988 0.423 . . . . 0.0 110.496 179.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.491 ' HB ' ' CE1' ' A' ' 78' ' ' PHE . 3.0 mp -101.47 153.49 4.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.355 -179.476 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -93.07 168.67 10.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.592 179.817 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 56.1 m -108.81 -29.59 8.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.073 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.421 ' HB1' ' CE2' ' A' ' 103' ' ' PHE . . . -82.33 -15.39 53.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.638 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 80.5 p -91.53 -21.59 20.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.678 -0.237 . . . . 0.0 111.563 -179.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.403 ' CG1' ' HB3' ' A' ' 96' ' ' HIS . 5.6 pt -111.09 24.43 3.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 111.649 0.24 . . . . 0.0 111.649 -179.621 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . 0.442 ' HA ' ' CE1' ' A' ' 96' ' ' HIS . 1.6 m -59.73 116.64 4.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.998 0.428 . . . . 0.0 110.868 179.689 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 120.22 -33.07 4.67 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.917 -0.659 . . . . 0.0 112.211 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -143.72 60.16 1.38 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.977 0.418 . . . . 0.0 110.618 179.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . 0.442 ' CE1' ' HA ' ' A' ' 93' ' ' CYS . 1.8 p-80 -125.62 159.68 59.59 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.013 -179.645 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.431 ' HD2' ' HB2' ' A' ' 96' ' ' HIS . 19.2 Cg_endo -58.61 176.58 0.4 Allowed 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.537 2.158 . . . . 0.0 112.178 179.749 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.52 -24.25 67.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.202 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -63.57 -36.0 82.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.776 0.322 . . . . 0.0 111.162 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 96.0 m -95.06 24.88 4.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.073 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -78.28 -27.34 47.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.798 0.333 . . . . 0.0 111.33 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 25.7 p90 -65.7 -14.94 62.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.386 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.421 ' CE2' ' HB1' ' A' ' 90' ' ' ALA . 0.5 OUTLIER -90.38 -69.92 0.7 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.639 0.257 . . . . 0.0 111.127 -179.692 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 34.9 m -129.86 87.94 2.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.935 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -166.34 -172.96 2.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.861 0.363 . . . . 0.0 111.04 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 7.4 p30 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.004 179.994 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.8 mtpt . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.742 0.306 . . . . 0.0 110.714 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.49 ' CE1' ' HB ' ' A' ' 87' ' ' ILE . 2.4 p90 -138.24 172.54 12.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.962 0.41 . . . . 0.0 111.03 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -113.6 122.31 46.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.772 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -100.81 106.59 18.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.753 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 5.3 p80 -56.25 -46.2 79.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.366 -179.624 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.8 pp -56.22 -22.65 30.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.235 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 58.0 mt -104.27 -24.58 13.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.066 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.1 mtt-85 67.73 14.01 9.38 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.052 -179.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -125.64 -178.93 4.42 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.756 0.312 . . . . 0.0 110.724 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 28.9 p -103.69 112.7 25.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.014 0.435 . . . . 0.0 110.618 179.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.49 ' HB ' ' CE1' ' A' ' 78' ' ' PHE . 2.7 mp -110.32 158.69 10.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.385 -179.418 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -94.27 162.39 13.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.707 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . 0.449 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 77.8 m -94.06 -30.7 14.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.811 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.404 ' HB3' ' CZ ' ' A' ' 103' ' ' PHE . . . -58.06 -54.43 47.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.48 -179.857 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 69.9 m -57.08 -22.39 39.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.596 -179.571 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 25.1 pt -112.01 27.73 2.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 111.699 0.259 . . . . 0.0 111.699 -179.628 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.7 m -63.95 126.19 26.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.82 0.343 . . . . 0.0 110.705 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 101.11 -30.68 9.84 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.481 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -135.95 57.88 1.77 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.861 0.362 . . . . 0.0 110.982 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 27.5 p-80 -123.29 156.75 63.06 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.885 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -64.3 175.31 3.42 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.61 2.206 . . . . 0.0 112.405 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 4.5 ttpt -59.86 -29.85 68.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.026 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.414 ' O ' ' CE2' ' A' ' 102' ' ' TYR . 5.8 tp-100 -54.97 -39.9 69.46 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.959 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 52.0 m -91.6 25.97 2.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.854 179.707 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.503 ' HA ' ' HB2' ' A' ' 105' ' ' GLU . . . -69.5 -14.93 63.13 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.479 -179.858 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.414 ' CE2' ' O ' ' A' ' 99' ' ' GLN . 35.2 p90 -91.16 -0.63 57.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.873 -179.45 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.449 ' CD2' ' HB2' ' A' ' 89' ' ' CYS . 2.9 t80 -102.73 -72.49 0.69 Allowed 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 111.764 0.283 . . . . 0.0 111.764 -179.099 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 14.2 m -122.63 51.68 1.38 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.85 0.357 . . . . 0.0 111.071 -179.427 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.503 ' HB2' ' HA ' ' A' ' 101' ' ' ALA . 0.6 OUTLIER -140.8 -171.83 3.33 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.021 -179.775 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 6.8 p30 . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.254 -179.78 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 5.3 mptt . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.814 0.34 . . . . 0.0 110.838 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.437 ' CZ ' ' HB ' ' A' ' 87' ' ' ILE . 32.6 p90 -123.23 169.97 10.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.927 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -117.24 124.11 48.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.032 179.688 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -97.49 102.14 13.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.715 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 49.6 p-80 -56.29 -47.72 78.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.443 -179.475 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.2 pp -54.46 -23.26 15.4 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.229 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 49.5 mt -102.64 -24.34 13.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.062 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 72.1 10.49 6.04 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.087 -179.6 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -121.91 176.1 5.95 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.687 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 57.1 m -103.83 105.85 16.19 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.481 179.543 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.458 ' CD1' ' N ' ' A' ' 87' ' ' ILE . 2.7 mp -99.22 146.79 7.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.223 -179.449 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.21 168.81 10.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.974 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 57.7 m -93.32 -30.49 15.11 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.988 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -69.16 -37.37 78.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.471 -179.665 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.71 -12.01 61.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.613 -179.661 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.406 ' CG1' ' HB3' ' A' ' 96' ' ' HIS . 9.5 pt -126.31 26.07 2.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.68 0.276 . . . . 0.0 111.614 -179.702 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.7 m -58.41 116.86 3.9 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.788 0.328 . . . . 0.0 110.865 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 115.71 -47.18 1.06 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.408 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 -124.2 64.07 1.08 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.902 0.382 . . . . 0.0 110.74 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . 0.461 ' CG ' ' HB2' ' A' ' 100' ' ' CYS . 1.9 p-80 -132.41 163.88 47.39 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.192 -179.724 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -58.78 -176.85 0.1 OUTLIER 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.698 2.266 . . . . 0.0 112.439 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.68 -31.55 70.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.045 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.98 -25.44 63.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.06 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . 0.461 ' HB2' ' CG ' ' A' ' 96' ' ' HIS . 92.4 m -106.18 0.67 25.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.356 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -52.65 -67.2 0.27 Allowed 'General case' 0 C--O 1.231 0.11 0 CA-C-O 120.921 0.391 . . . . 0.0 111.529 -179.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.407 ' HA ' ' HB2' ' A' ' 106' ' ' ASN . 27.8 p90 -48.48 -24.31 1.24 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.796 -179.756 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -58.27 -61.91 2.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.914 -179.242 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 2.1 m -122.02 -39.73 2.58 Favored 'General case' 0 N--CA 1.463 0.18 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 -178.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -105.62 106.52 17.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.136 0.493 . . . . 0.0 111.529 -179.346 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.407 ' HB2' ' HA ' ' A' ' 102' ' ' TYR . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.874 179.782 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 12.8 mttt . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.821 0.343 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.46 ' CE1' ' HB ' ' A' ' 87' ' ' ILE . 1.4 p90 -140.47 173.58 11.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.008 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -117.25 123.18 45.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.951 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.432 ' CB ' HD12 ' A' ' 87' ' ' ILE . 47.2 t0 -99.39 112.01 24.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.73 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 10.9 p80 -57.79 -53.67 55.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.557 -179.556 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.9 pp -48.94 -27.47 3.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.791 0.329 . . . . 0.0 111.209 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 21.7 mt -96.37 -24.27 16.23 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.838 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 67.52 16.65 9.96 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 -179.713 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -130.89 176.79 7.93 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.556 179.782 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 4.9 m -103.73 117.89 35.43 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.955 0.407 . . . . 0.0 110.406 179.579 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.46 ' HB ' ' CE1' ' A' ' 78' ' ' PHE . 3.6 mp -113.63 159.93 13.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.366 -179.393 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.54 163.15 13.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.979 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 64.2 m -93.61 -46.2 7.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.826 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.413 ' HB1' ' CE2' ' A' ' 103' ' ' PHE . . . -56.13 -25.51 46.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.323 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 20.6 t -88.86 5.65 42.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.535 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.417 HD12 ' CE1' ' A' ' 78' ' ' PHE . 13.3 pt -135.88 21.91 0.95 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.151 0 N-CA-C 111.647 0.24 . . . . 0.0 111.647 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.7 m -60.05 116.39 4.13 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.911 0.386 . . . . 0.0 110.625 179.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 116.76 -37.99 3.17 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 121.015 -0.612 . . . . 0.0 112.054 -179.484 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -132.36 62.36 1.65 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.866 0.365 . . . . 0.0 110.618 179.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . 0.444 ' HB2' ' HD2' ' A' ' 97' ' ' PRO . 9.3 p-80 -132.06 159.55 71.63 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.197 -179.635 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.444 ' HD2' ' HB2' ' A' ' 96' ' ' HIS . 56.7 Cg_endo -71.22 169.53 20.45 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.481 2.12 . . . . 0.0 112.146 179.727 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 6.8 ttpt -50.17 -27.33 5.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.461 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.11 -40.75 81.98 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.126 -179.73 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . 0.437 ' HB2' ' HB2' ' A' ' 96' ' ' HIS . 92.1 m -93.93 25.02 3.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.864 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.65 -16.87 59.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.59 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 23.7 p90 -79.42 -1.39 37.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.516 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.413 ' CE2' ' HB1' ' A' ' 90' ' ' ALA . 0.5 OUTLIER -104.94 -68.81 0.84 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.785 0.326 . . . . 0.0 110.84 -179.692 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 55.6 m -132.26 85.78 2.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.536 179.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -150.28 -172.8 4.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.006 0.432 . . . . 0.0 111.171 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 4.3 p30 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.297 -179.782 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 12.3 mttm . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.741 0.305 . . . . 0.0 110.787 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.49 ' CZ ' ' HB ' ' A' ' 87' ' ' ILE . 34.7 p90 -159.16 168.18 27.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.945 0.402 . . . . 0.0 111.201 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -117.59 129.73 55.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.699 179.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -108.09 114.67 28.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.717 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 6.2 p80 -58.65 -48.36 81.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.409 -179.5 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.4 pp -55.79 -23.45 30.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.775 0.321 . . . . 0.0 111.134 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 33.4 mt -99.96 -24.01 14.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.026 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 66.85 15.4 10.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.08 -179.654 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -131.74 178.25 6.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.579 179.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 47.8 t -103.59 103.87 13.86 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.979 0.418 . . . . 0.0 110.276 179.66 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.49 ' HB ' ' CZ ' ' A' ' 78' ' ' PHE . 3.4 mp -93.33 126.69 45.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.421 -179.345 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.41 ' O ' HG12 ' A' ' 92' ' ' ILE . 0.5 OUTLIER -85.43 168.47 14.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.772 179.844 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 68.9 m -94.71 -40.91 9.54 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.947 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.448 ' CB ' ' CZ ' ' A' ' 103' ' ' PHE . . . -68.32 -32.52 72.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.508 -179.604 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 67.0 m -80.15 -5.56 56.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.742 -179.619 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.47 HG13 ' HB3' ' A' ' 96' ' ' HIS . 45.5 pt -120.62 28.22 3.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 111.68 0.252 . . . . 0.0 111.68 -179.675 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 2.9 m -51.53 154.36 1.91 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.822 0.344 . . . . 0.0 110.43 179.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 76.13 -57.18 3.2 Favored Glycine 0 CA--C 1.519 0.328 0 C-N-CA 120.734 -0.746 . . . . 0.0 113.225 179.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -113.23 78.12 1.11 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.88 0.371 . . . . 0.0 111.219 -179.477 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . 0.49 ' CE1' ' HB2' ' A' ' 104' ' ' CYS . 9.2 p-80 -132.64 159.7 71.39 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.042 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -72.28 -177.44 2.69 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.386 2.057 . . . . 0.0 111.984 179.549 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 19.8 ttpt -66.17 -26.73 67.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.054 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.442 ' O ' ' CE2' ' A' ' 102' ' ' TYR . 0.8 OUTLIER -59.9 -54.03 50.88 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.06 -179.784 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . 0.437 ' HB2' ' HB2' ' A' ' 96' ' ' HIS . 89.0 m -77.75 4.08 12.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.597 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.47 ' HA ' ' HB2' ' A' ' 105' ' ' GLU . . . -50.78 -23.71 2.93 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.871 0.367 . . . . 0.0 111.584 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.442 ' CE2' ' O ' ' A' ' 99' ' ' GLN . 10.1 p90 -82.28 -0.53 45.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.861 -179.59 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.448 ' CZ ' ' CB ' ' A' ' 90' ' ' ALA . 1.5 t80 -101.47 -72.62 0.68 Allowed 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -179.179 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . 0.49 ' HB2' ' CE1' ' A' ' 96' ' ' HIS . 1.0 OUTLIER -115.79 43.73 2.05 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.559 0.219 . . . . 0.0 111.146 -179.061 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.47 ' HB2' ' HA ' ' A' ' 101' ' ' ALA . 2.9 tt0 -128.5 -171.84 2.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.046 0.451 . . . . 0.0 111.774 -179.465 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 1.4 p30 . . . . . 0 N--CA 1.465 0.325 0 CA-C-N 115.383 -0.826 . . . . 0.0 112.164 -179.539 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.654 0.264 . . . . 0.0 110.796 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.529 ' CZ ' ' HB ' ' A' ' 87' ' ' ILE . 26.1 p90 -141.24 165.27 27.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.939 0.4 . . . . 0.0 111.188 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -117.5 115.45 25.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.65 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.456 ' HB3' ' HB2' ' A' ' 83' ' ' LEU . 35.4 t0 -84.04 118.6 24.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.974 0.416 . . . . 0.0 110.635 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 9.1 p80 -63.22 -50.19 71.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.76 -179.294 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.76 -18.81 46.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.812 -179.278 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.456 ' HB2' ' HB3' ' A' ' 80' ' ' ASP . 53.1 mt -101.99 -24.24 14.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.609 0.242 . . . . 0.0 111.38 -179.839 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 65.14 16.89 10.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.743 -179.345 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -126.17 -178.85 4.46 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.583 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 2.6 p -106.04 111.85 24.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.959 0.409 . . . . 0.0 110.73 179.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.529 ' HB ' ' CZ ' ' A' ' 78' ' ' PHE . 3.0 mp -112.46 146.88 16.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.151 -179.769 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.2 m -100.19 165.61 11.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.853 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 97.6 m -93.98 -46.78 7.0 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.43 ' HB3' ' CZ ' ' A' ' 103' ' ' PHE . . . -52.7 -32.58 43.41 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.403 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 70.4 m -78.68 -4.24 48.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.406 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 10.9 pt -135.95 21.41 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.748 -0.206 . . . . 0.0 111.552 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . 0.464 ' HA ' ' CE1' ' A' ' 96' ' ' HIS . 1.5 m -61.49 117.07 5.24 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.926 0.393 . . . . 0.0 111.142 179.821 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 120.0 -34.97 3.97 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.302 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -140.6 58.69 1.56 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.064 0.459 . . . . 0.0 110.594 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . 0.464 ' CE1' ' HA ' ' A' ' 93' ' ' CYS . 1.9 p-80 -126.92 164.07 37.43 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.006 -179.664 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -58.79 168.12 4.63 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.484 2.123 . . . . 0.0 112.091 179.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.69 -28.03 65.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.113 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.408 ' OE1' ' CD1' ' A' ' 78' ' ' PHE . 1.2 pt20 -59.28 -30.88 68.63 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.158 -179.778 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . 0.408 ' SG ' ' CE2' ' A' ' 78' ' ' PHE . 21.8 m -93.35 25.91 3.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.984 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.487 ' HA ' ' HB2' ' A' ' 105' ' ' GLU . . . -76.38 -32.55 58.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.543 -179.657 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 40.1 p90 -63.66 -15.71 59.04 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.447 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.43 ' CZ ' ' HB3' ' A' ' 90' ' ' ALA . 0.3 OUTLIER -94.75 -61.14 1.55 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.72 0.295 . . . . 0.0 110.958 -179.67 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 18.8 m -144.46 95.39 2.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.983 179.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.487 ' HB2' ' HA ' ' A' ' 101' ' ' ALA . 0.0 OUTLIER -150.36 -172.16 4.1 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.028 0.442 . . . . 0.0 111.546 179.901 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 . . . . . 0 N--CA 1.466 0.374 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.535 -179.785 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 19.3 mttt . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.895 0.378 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.468 ' CE1' ' HB ' ' A' ' 87' ' ' ILE . 4.0 p90 -127.54 -177.33 4.05 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.807 179.753 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -116.97 118.23 31.86 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.942 0.401 . . . . 0.0 111.096 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -102.36 98.04 8.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.391 179.65 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 5.9 p80 -46.95 -48.04 21.61 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.673 -179.367 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.36 -25.24 9.24 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.875 0.369 . . . . 0.0 110.879 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.43 ' O ' ' CG ' ' A' ' 84' ' ' ARG . 33.6 mt -104.43 -21.43 13.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.803 179.724 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.43 ' CG ' ' O ' ' A' ' 83' ' ' LEU . 0.1 OUTLIER 64.06 16.1 9.72 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.4 -179.622 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -126.9 -179.19 4.71 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.588 179.772 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 15.6 p -103.97 101.99 11.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.656 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.468 ' HB ' ' CE1' ' A' ' 78' ' ' PHE . 3.0 mp -95.87 159.17 2.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.118 -179.71 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -82.32 165.84 20.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.129 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 90.4 m -102.49 -37.78 7.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.422 ' HB3' ' CZ ' ' A' ' 103' ' ' PHE . . . -54.43 -42.58 70.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.312 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 34.2 p -65.3 -15.78 62.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.414 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.431 HD12 ' CE1' ' A' ' 78' ' ' PHE . 14.3 pt -118.78 24.7 4.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.584 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.6 m -61.79 121.21 12.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.937 0.398 . . . . 0.0 110.833 179.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 108.13 -36.08 4.59 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.924 -0.655 . . . . 0.0 112.231 -179.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -131.9 59.26 1.71 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.845 0.355 . . . . 0.0 110.67 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . 0.469 ' CD2' ' CB ' ' A' ' 100' ' ' CYS . 32.2 p-80 -129.52 157.07 77.53 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.944 -179.757 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_endo -61.31 -176.88 0.18 Allowed 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.607 2.204 . . . . 0.0 112.232 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.57 -38.5 87.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.083 -179.812 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.39 -36.27 42.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.123 -179.79 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . 0.469 ' CB ' ' CD2' ' A' ' 96' ' ' HIS . 24.9 m -91.94 13.62 18.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.005 179.692 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -69.21 -16.1 63.54 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.748 0.309 . . . . 0.0 111.657 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 18.6 p90 -79.89 -0.75 36.21 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.637 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.422 ' CZ ' ' HB3' ' A' ' 90' ' ' ALA . 1.1 t80 -104.02 -68.57 0.84 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.752 0.311 . . . . 0.0 111.119 -179.792 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 86.6 m -127.61 75.07 1.57 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.932 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -155.53 -172.79 4.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.955 0.407 . . . . 0.0 111.12 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 6.1 p30 . . . . . 0 C--N 1.331 -0.232 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.457 -179.772 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.175 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.4 171.26 8.21 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 120.744 0.307 . . . . 0.0 110.84 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.466 ' HG2' ' CZ3' ' A' ' 67' ' ' TRP . 91.6 Cg_endo -82.0 4.84 6.73 Favored 'Trans proline' 0 N--CA 1.461 -0.389 0 C-N-CA 122.649 2.232 . . . . 0.0 112.781 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.466 ' CZ3' ' HG2' ' A' ' 66' ' ' PRO . 4.5 m95 -75.31 90.37 2.62 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.827 0.346 . . . . 0.0 110.764 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -145.56 -33.78 0.34 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.495 -179.719 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.6 mp -88.9 20.21 3.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.501 -179.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.6 t -73.18 165.36 25.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.82 0.343 . . . . 0.0 110.975 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 23.9 p -135.46 141.95 45.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.722 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 14.1 mtm180 -118.12 95.46 4.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.097 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.63 -32.7 13.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.571 179.534 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -119.99 -165.39 1.17 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.748 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.74 -39.36 31.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.975 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -115.22 133.46 10.98 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.449 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 44.5 mttt -160.06 -177.9 6.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.817 0.342 . . . . 0.0 111.057 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.491 ' CE1' ' HB ' ' A' ' 87' ' ' ILE . 3.2 p90 -165.13 167.41 18.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -112.94 116.37 29.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.833 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.419 ' HB3' ' HB2' ' A' ' 83' ' ' LEU . 2.0 t0 -88.89 104.91 17.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.583 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 26.3 t60 -51.55 -60.34 3.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.848 -179.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -46.81 -28.3 1.51 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.52 -179.491 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.419 ' HB2' ' HB3' ' A' ' 80' ' ' ASP . 76.4 mt -94.09 -28.13 15.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.923 0.392 . . . . 0.0 111.019 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 7.1 ttt-85 69.13 12.28 8.46 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.999 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -120.81 -179.36 3.98 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.602 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 7.8 p -103.73 109.91 21.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.38 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.491 ' HB ' ' CE1' ' A' ' 78' ' ' PHE . 2.6 mp -107.23 150.43 9.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.235 -179.337 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.22 168.32 11.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.918 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 75.1 m -108.0 -30.66 8.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.983 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.464 ' CB ' ' CZ ' ' A' ' 103' ' ' PHE . . . -74.81 -31.22 61.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.206 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.59 -24.81 60.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.153 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.406 ' CG1' ' HB3' ' A' ' 96' ' ' HIS . 11.3 pt -110.22 26.47 2.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.608 -179.737 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.6 m -60.84 123.89 18.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.946 0.403 . . . . 0.0 110.846 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 103.4 -28.65 14.72 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.24 -179.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -138.88 60.12 1.6 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.007 0.432 . . . . 0.0 110.599 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.452 ' CD2' ' CB ' ' A' ' 100' ' ' CYS . 30.3 p-80 -132.12 157.06 79.24 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.107 -179.649 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -58.45 -176.62 0.09 OUTLIER 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.603 2.202 . . . . 0.0 112.065 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.67 -34.11 75.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.25 -179.652 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.423 ' O ' ' CE2' ' A' ' 102' ' ' TYR . 0.0 OUTLIER -54.85 -37.5 66.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.3 -179.736 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . 0.452 ' CB ' ' CD2' ' A' ' 96' ' ' HIS . 35.3 m -90.92 14.93 12.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.388 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -68.19 -25.92 65.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.799 0.333 . . . . 0.0 111.404 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.423 ' CE2' ' O ' ' A' ' 99' ' ' GLN . 13.0 p90 -68.23 -10.77 56.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.586 -179.699 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.464 ' CZ ' ' CB ' ' A' ' 90' ' ' ALA . 1.0 OUTLIER -94.58 -69.23 0.76 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.701 0.286 . . . . 0.0 111.233 -179.756 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 76.2 m -126.97 79.48 1.88 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.116 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -166.27 -173.41 2.55 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.886 0.374 . . . . 0.0 111.098 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -53.74 -30.84 46.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.219 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.89 -36.62 72.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.211 -179.73 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -132.41 -69.12 0.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.933 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 2.3 ttt85 . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.366 -0.826 . . . . 0.0 110.917 -179.979 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.238 0 N-CA-C 112.423 -0.271 . . . . 0.0 112.423 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 57.8 p -61.77 162.83 14.55 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 120.635 0.255 . . . . 0.0 110.82 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.462 ' HG2' ' CZ3' ' A' ' 67' ' ' TRP . 93.6 Cg_endo -89.93 23.93 0.66 Allowed 'Trans proline' 0 N--CA 1.457 -0.66 0 C-N-CA 122.888 2.392 . . . . 0.0 112.755 -179.767 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.462 ' CZ3' ' HG2' ' A' ' 66' ' ' PRO . 4.4 m95 -97.41 36.2 1.51 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.879 0.371 . . . . 0.0 110.785 179.761 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.5 m -164.01 46.02 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.34 -52.71 62.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.919 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 54.1 p -173.61 49.75 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 83.9 m -119.87 -179.82 4.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.929 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -84.28 157.22 21.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.803 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.05 8.23 33.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.385 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.55 137.77 57.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.816 0.341 . . . . 0.0 110.857 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 8.8 mp0 -80.16 -2.23 43.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.426 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -85.08 5.98 80.98 Favored Glycine 0 C--N 1.332 0.318 0 C-N-CA 120.587 -0.816 . . . . 0.0 112.877 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 27.5 mttt -137.32 150.62 47.89 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.784 0.326 . . . . 0.0 110.876 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.406 ' CZ ' ' HB ' ' A' ' 87' ' ' ILE . 36.7 p90 -118.64 169.64 9.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.763 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -117.19 130.88 56.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.857 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -104.92 121.07 42.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.645 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 56.2 p-80 -69.13 -49.14 59.69 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.682 -179.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -54.96 -23.07 17.32 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.661 0.267 . . . . 0.0 111.225 -179.792 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 24.1 mt -102.22 -25.12 13.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.965 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 69.43 15.8 8.31 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.005 -179.731 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -124.83 175.77 7.05 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.716 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 7.9 m -103.65 98.52 8.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.457 179.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.41 ' CD1' ' N ' ' A' ' 87' ' ' ILE . 3.4 mp -89.07 123.96 41.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.31 -179.521 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.5 p -77.9 168.73 19.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.825 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 14.7 m -93.53 -43.36 8.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.91 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.447 ' HB3' ' CZ ' ' A' ' 103' ' ' PHE . . . -64.84 -29.49 70.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.366 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 41.9 t -72.4 -16.52 61.84 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.507 -179.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 10.5 pt -118.4 25.37 4.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 N-CA-C 111.666 0.247 . . . . 0.0 111.666 -179.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.6 m -57.5 116.8 3.59 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.973 0.416 . . . . 0.0 111.02 179.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 122.72 -47.99 0.98 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.096 -179.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -130.55 65.1 1.54 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.025 0.441 . . . . 0.0 110.444 179.609 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.442 ' HB2' ' HD2' ' A' ' 97' ' ' PRO . 1.9 p-80 -126.2 159.27 63.25 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.026 -179.554 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.442 ' HD2' ' HB2' ' A' ' 96' ' ' HIS . 20.5 Cg_endo -60.78 170.06 5.0 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.534 2.156 . . . . 0.0 112.245 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.2 -26.68 61.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.252 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.406 ' O ' ' CE2' ' A' ' 102' ' ' TYR . 1.3 tt0 -61.6 -35.83 78.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.444 -0.343 . . . . 0.0 111.182 -179.724 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . 0.413 ' HB2' ' CG ' ' A' ' 96' ' ' HIS . 81.2 m -94.53 24.42 4.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.171 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -78.22 -19.8 53.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.561 -0.291 . . . . 0.0 111.537 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.406 ' CE2' ' O ' ' A' ' 99' ' ' GLN . 28.1 p90 -76.3 -5.1 45.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.619 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.447 ' CZ ' ' HB3' ' A' ' 90' ' ' ALA . 0.7 OUTLIER -100.65 -69.16 0.78 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.842 0.353 . . . . 0.0 111.05 -179.722 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 60.6 m -129.5 85.09 2.27 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.565 179.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -160.88 -172.84 3.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.024 0.44 . . . . 0.0 111.167 -179.82 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -49.88 -35.78 24.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.34 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 19.6 mtmt -64.83 -44.35 90.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.895 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -140.98 103.05 4.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.843 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.297 -0.858 . . . . 0.0 110.885 -179.97 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.212 0 N-CA-C 112.558 -0.217 . . . . 0.0 112.558 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.1 p -79.72 153.36 75.63 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 120.81 0.338 . . . . 0.0 110.957 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.476 ' HG2' ' CE3' ' A' ' 67' ' ' TRP . 35.2 Cg_endo -64.64 -49.19 3.39 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.682 2.254 . . . . 0.0 112.345 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.476 ' CE3' ' HG2' ' A' ' 66' ' ' PRO . 10.6 p90 -108.38 125.44 51.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.966 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -174.93 -63.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.819 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.1 pp -106.17 -15.96 14.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.123 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.1 t -58.54 -41.16 84.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.771 0.319 . . . . 0.0 111.095 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 4.2 t -108.08 165.23 11.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.937 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 7.7 mpt_? -59.24 176.17 0.26 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.043 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.3 mmpt? -94.03 8.04 42.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.495 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -59.59 120.96 10.41 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.888 0.375 . . . . 0.0 110.933 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -63.88 -17.71 63.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.21 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -92.75 25.76 17.57 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.671 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.1 mttp -139.91 142.31 36.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.891 0.377 . . . . 0.0 110.727 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.417 ' CE1' ' HB ' ' A' ' 87' ' ' ILE . 34.1 p90 -132.48 172.21 12.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.073 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.423 ' CG ' ' HB3' ' A' ' 67' ' ' TRP . 6.2 t80 -117.12 121.05 40.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.721 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -93.42 120.01 33.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.622 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 8.1 p80 -66.96 -48.88 67.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.539 -179.381 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -57.11 -21.91 35.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.71 0.29 . . . . 0.0 111.31 -179.737 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 32.1 mt -105.59 -23.29 12.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.089 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 4.3 mmt180 66.7 16.73 10.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.957 -179.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -122.87 175.92 6.28 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.71 179.775 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 19.8 t -103.71 99.46 9.25 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.944 0.402 . . . . 0.0 110.57 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.426 ' CD1' ' N ' ' A' ' 87' ' ' ILE . 3.1 mp -97.84 134.2 36.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.408 -179.343 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.404 ' O ' HG12 ' A' ' 92' ' ' ILE . 1.2 m -91.62 168.81 11.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.571 179.689 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 23.7 m -93.46 -54.04 3.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.797 0.332 . . . . 0.0 110.904 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.446 ' CB ' ' CE2' ' A' ' 103' ' ' PHE . . . -55.09 -28.55 53.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.46 -179.762 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.34 -2.01 47.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.746 -179.689 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.404 HG12 ' O ' ' A' ' 88' ' ' SER . 6.1 pt -128.82 25.39 2.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 N-CA-C 111.79 0.292 . . . . 0.0 111.79 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.6 m -58.03 116.93 3.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.917 0.389 . . . . 0.0 110.893 179.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 118.71 -43.43 1.59 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.98 -0.629 . . . . 0.0 112.072 -179.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -131.41 65.15 1.57 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.976 0.417 . . . . 0.0 110.33 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.492 ' HB2' ' HD2' ' A' ' 97' ' ' PRO . 1.9 p-80 -131.98 160.16 68.97 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.285 -179.408 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.492 ' HD2' ' HB2' ' A' ' 96' ' ' HIS . 24.1 Cg_endo -61.4 -177.03 0.19 Allowed 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.676 2.251 . . . . 0.0 112.428 179.8 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 8.8 ttpt -64.92 -40.49 95.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.403 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.427 ' O ' ' CE2' ' A' ' 102' ' ' TYR . 0.0 OUTLIER -54.0 -31.37 50.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.473 -179.504 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . 0.403 ' HB2' ' CG ' ' A' ' 96' ' ' HIS . 70.8 m -94.04 19.79 8.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.532 -0.303 . . . . 0.0 111.076 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -78.42 -26.12 46.25 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.789 0.328 . . . . 0.0 111.659 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.427 ' CE2' ' O ' ' A' ' 99' ' ' GLN . 26.4 p90 -66.96 -12.44 59.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.542 -179.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.446 ' CE2' ' CB ' ' A' ' 90' ' ' ALA . 0.6 OUTLIER -94.48 -69.88 0.73 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.713 0.292 . . . . 0.0 111.014 -179.692 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 58.0 m -129.34 92.03 3.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.752 179.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -165.83 -172.83 2.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.936 0.398 . . . . 0.0 111.068 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -46.41 -49.83 17.51 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.289 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.15 141.61 47.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.943 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -157.74 -45.59 0.06 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.078 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 1.2 mtp180 . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.197 -0.906 . . . . 0.0 110.765 -179.99 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.214 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 32.7 p -105.61 103.29 42.67 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 120.529 0.204 . . . . 0.0 110.873 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.422 ' HB2' ' CE3' ' A' ' 67' ' ' TRP . 19.3 Cg_endo -59.94 -67.27 0.05 OUTLIER 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.323 2.015 . . . . 0.0 112.299 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.422 ' CE3' ' HB2' ' A' ' 66' ' ' PRO . 5.6 m-90 -106.73 168.44 9.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.965 179.814 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 11.2 t -176.68 49.85 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.824 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.23 -25.97 15.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.026 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.5 m -88.74 51.6 2.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.905 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 1.7 m -163.04 -175.46 4.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.152 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -112.38 176.53 4.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.861 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.68 -15.95 44.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.566 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -44.19 140.21 2.26 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.83 0.347 . . . . 0.0 111.331 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -80.23 -30.76 38.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.075 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -76.32 60.51 3.18 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.544 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.7 mmtm -151.61 162.59 40.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.84 0.352 . . . . 0.0 110.863 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.524 ' CZ ' ' HB ' ' A' ' 87' ' ' ILE . 19.5 p90 -159.28 168.18 27.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.768 179.673 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -117.06 126.79 53.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.135 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.41 ' HB3' ' HB2' ' A' ' 83' ' ' LEU . 9.0 t0 -96.37 119.66 35.26 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.2 179.488 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.415 ' CG ' ' N ' ' A' ' 82' ' ' LEU . 39.8 p-80 -67.58 -49.14 64.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.956 -179.003 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.415 ' N ' ' CG ' ' A' ' 81' ' ' HIS . 0.5 OUTLIER -62.88 -16.02 57.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.611 0.244 . . . . 0.0 111.451 -179.58 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.41 ' HB2' ' HB3' ' A' ' 80' ' ' ASP . 45.8 mt -105.03 -24.87 12.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.774 0.321 . . . . 0.0 111.167 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 67.62 14.73 9.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.242 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -123.14 172.04 8.87 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.794 0.331 . . . . 0.0 110.776 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 37.5 t -103.61 97.55 7.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.386 179.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.524 ' HB ' ' CZ ' ' A' ' 78' ' ' PHE . 3.2 mp -84.64 148.83 4.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.241 -179.451 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.0 m -92.45 168.05 11.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.917 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 66.3 m -107.27 -48.17 3.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.084 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.432 ' HB1' ' CE2' ' A' ' 103' ' ' PHE . . . -57.38 -30.66 65.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.282 -179.785 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.12 -21.09 59.09 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.258 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 7.9 pt -115.3 24.0 5.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.621 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . 0.452 ' HA ' ' CE1' ' A' ' 96' ' ' HIS . 1.6 m -62.48 116.71 5.34 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.975 0.417 . . . . 0.0 110.878 179.699 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 114.4 -28.28 8.36 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.94 -0.648 . . . . 0.0 112.328 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 20.9 mm-40 -140.01 49.04 1.77 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.975 0.417 . . . . 0.0 110.651 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.452 ' CE1' ' HA ' ' A' ' 93' ' ' CYS . 1.9 p-80 -121.14 159.21 50.49 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.844 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.449 ' HD2' ' HB2' ' A' ' 96' ' ' HIS . 31.3 Cg_endo -63.95 179.59 1.04 Allowed 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.477 2.118 . . . . 0.0 112.107 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 5.6 ttpt -62.93 -24.26 67.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.283 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -60.99 -39.61 90.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.142 -179.785 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 64.0 m -94.3 27.36 2.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.167 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -77.11 -31.23 55.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.823 0.344 . . . . 0.0 111.135 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 29.4 p90 -60.9 -20.05 61.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.204 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.432 ' CE2' ' HB1' ' A' ' 90' ' ' ALA . 0.3 OUTLIER -86.71 -69.9 0.64 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.134 -179.633 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 24.8 m -132.53 95.46 3.62 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.921 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -166.07 -175.64 3.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.928 0.394 . . . . 0.0 111.052 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -58.46 86.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.177 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 16.5 ptmt -179.14 -36.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.006 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -112.34 64.93 0.63 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.984 -179.755 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 3.0 mtp180 . . . . . 0 C--O 1.25 1.129 0 CA-C-O 118.188 -0.911 . . . . 0.0 110.86 179.854 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.239 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 12.2 t -150.82 136.86 10.88 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 120.628 0.252 . . . . 0.0 110.881 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -79.55 -35.35 0.82 Allowed 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.535 2.156 . . . . 0.0 112.875 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 10.3 m-90 -118.93 -82.15 0.64 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.687 0.279 . . . . 0.0 111.552 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 94.5 p -87.4 111.01 20.68 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.875 0.369 . . . . 0.0 111.273 -179.49 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.4 -27.75 62.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.027 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 38.3 m -57.08 103.51 0.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.025 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 53.7 m -133.41 -178.71 5.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.953 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.1 mtp180 -60.6 159.95 9.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 15.6 tttt -83.87 -26.12 29.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.095 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -57.39 145.67 31.83 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.019 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.28 -60.81 2.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.972 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -63.65 84.5 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.523 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.65 135.43 12.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.79 0.328 . . . . 0.0 110.827 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.496 ' CE1' ' HB ' ' A' ' 87' ' ' ILE . 4.6 p90 -117.35 164.45 14.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.963 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -112.01 130.72 55.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.998 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -106.49 112.3 25.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.579 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 54.1 p-80 -61.8 -48.82 78.9 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.804 -179.286 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.89 -23.3 18.03 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.704 0.287 . . . . 0.0 111.237 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 36.4 mt -102.78 -24.03 13.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.078 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 10.3 mtt180 67.6 14.52 9.57 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.18 -179.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -123.42 175.81 6.52 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.645 179.738 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 1.7 m -103.72 103.93 13.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.312 179.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.496 ' HB ' ' CE1' ' A' ' 78' ' ' PHE . 2.9 mp -97.72 156.0 3.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.484 -179.281 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.6 m -93.18 163.19 13.72 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.69 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 56.0 m -106.94 -33.47 7.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.82 0.343 . . . . 0.0 111.039 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.449 ' HB1' ' CE2' ' A' ' 103' ' ' PHE . . . -71.82 -23.66 61.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.359 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.24 -19.9 35.54 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.364 -179.672 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 14.6 pt -113.8 25.22 4.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 111.699 0.259 . . . . 0.0 111.699 -179.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . 0.446 ' HA ' ' CE1' ' A' ' 96' ' ' HIS . 1.6 m -64.35 116.71 6.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.951 0.405 . . . . 0.0 110.878 179.714 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 118.64 -28.59 6.69 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.271 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.51 56.9 1.23 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.983 0.42 . . . . 0.0 110.473 179.801 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.446 ' CE1' ' HA ' ' A' ' 93' ' ' CYS . 1.8 p-80 -124.29 159.71 55.98 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.052 -179.688 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.433 ' HD2' ' HB2' ' A' ' 96' ' ' HIS . 34.5 Cg_endo -64.79 -177.0 0.49 Allowed 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.483 2.122 . . . . 0.0 112.154 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 6.0 ttpt -63.61 -29.46 70.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.107 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.6 -37.93 71.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.173 -179.775 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . 0.404 ' HB2' ' HB2' ' A' ' 96' ' ' HIS . 87.0 m -98.64 26.99 5.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.171 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -78.7 -21.95 47.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.352 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 29.4 p90 -72.11 -24.39 61.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.216 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.449 ' CE2' ' HB1' ' A' ' 90' ' ' ALA . 0.3 OUTLIER -80.1 -70.25 0.53 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.048 -179.624 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 18.6 m -132.69 96.43 3.81 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.77 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -166.15 -172.7 2.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.955 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -49.76 -29.59 8.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.168 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -125.25 126.9 45.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.916 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 1.8 pp -159.07 163.26 36.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.943 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 1.9 mmt85 . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.265 -0.874 . . . . 0.0 110.931 -179.93 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.193 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 57.7 m -96.57 137.86 21.47 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 120.655 0.264 . . . . 0.0 110.889 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -54.55 -55.08 3.62 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.383 2.056 . . . . 0.0 112.249 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 17.5 m-90 -62.76 179.48 0.35 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.961 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 28.3 t -178.44 -36.32 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.956 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.7 pp -83.91 4.36 29.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.517 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 26.4 m -95.67 38.22 1.17 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.828 0.347 . . . . 0.0 110.966 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 1.8 m -129.52 151.9 49.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.825 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 9.6 mtm180 -65.46 169.49 5.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.868 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.73 -20.82 52.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.228 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -52.24 114.83 1.46 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.841 0.353 . . . . 0.0 111.109 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -65.96 -38.58 88.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.83 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -79.92 61.47 4.31 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.478 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -158.49 146.03 17.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.769 0.319 . . . . 0.0 110.941 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.464 ' CE1' ' HB ' ' A' ' 87' ' ' ILE . 2.7 p90 -126.95 169.19 13.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.947 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -109.98 133.93 52.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.825 179.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -106.87 141.7 37.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.387 179.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 38.8 p-80 -82.51 -52.16 7.11 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.655 -179.321 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.84 -17.84 52.25 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.619 0.247 . . . . 0.0 111.213 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 45.2 mt -101.51 -27.78 12.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.862 0.363 . . . . 0.0 110.858 179.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? 65.47 18.42 11.29 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.959 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -131.22 -179.81 5.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.735 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 31.8 t -103.93 109.71 21.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.49 179.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.464 ' HB ' ' CE1' ' A' ' 78' ' ' PHE . 3.4 mp -106.66 160.65 6.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.293 -179.44 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -94.8 168.15 10.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.392 179.599 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 68.6 m -104.8 -27.79 11.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.135 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.405 ' HB3' ' CZ ' ' A' ' 103' ' ' PHE . . . -74.25 -23.03 59.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.352 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -86.44 -22.47 26.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.422 -179.766 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 18.7 pt -108.06 23.61 3.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.574 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . 0.481 ' HA ' ' CE1' ' A' ' 96' ' ' HIS . 1.6 m -66.46 116.82 7.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.963 0.411 . . . . 0.0 111.067 179.775 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 124.81 -36.78 2.76 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.921 -0.657 . . . . 0.0 112.331 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -143.08 58.4 1.41 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.926 0.393 . . . . 0.0 110.662 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.481 ' CE1' ' HA ' ' A' ' 93' ' ' CYS . 1.6 p-80 -120.59 160.31 44.69 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.008 -179.748 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.451 ' HD2' ' HB2' ' A' ' 96' ' ' HIS . 40.8 Cg_endo -67.77 176.29 5.33 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.394 2.062 . . . . 0.0 112.076 179.751 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.03 -27.95 64.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.191 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.409 ' HG2' ' CD2' ' A' ' 78' ' ' PHE . 0.8 OUTLIER -56.39 -42.32 77.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.172 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . 0.41 ' HB2' ' HB2' ' A' ' 96' ' ' HIS . 55.0 m -95.5 24.62 5.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.936 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.446 ' HA ' ' HB2' ' A' ' 105' ' ' GLU . . . -76.26 -17.58 59.41 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.366 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 25.8 p90 -77.63 -3.35 40.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.499 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.405 ' CZ ' ' HB3' ' A' ' 90' ' ' ALA . 0.3 OUTLIER -103.35 -69.26 0.8 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.78 0.324 . . . . 0.0 110.804 -179.637 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 13.1 m -134.31 84.94 2.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.547 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.446 ' HB2' ' HA ' ' A' ' 101' ' ' ALA . 0.0 OUTLIER -146.11 -173.37 4.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.022 0.439 . . . . 0.0 111.2 -179.727 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -68.16 76.12 0.24 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.946 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.66 -41.88 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.31 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.13 139.41 58.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.817 0.342 . . . . 0.0 110.879 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.262 -0.875 . . . . 0.0 110.926 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.246 0 N-CA-C 112.511 -0.235 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 18.3 p -91.87 101.63 4.89 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 120.503 0.192 . . . . 0.0 110.871 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -58.54 -54.17 3.22 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.39 2.06 . . . . 0.0 112.317 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 21.6 m-90 -110.29 111.11 22.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.92 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.4 p -99.5 37.52 1.57 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -106.04 -22.75 12.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.174 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 43.9 m -74.24 -74.75 0.18 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.187 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 1.9 p -155.25 135.78 13.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.087 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.4 ptp180 -118.05 96.39 5.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.821 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.9 mttt -61.02 -59.03 6.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.06 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -175.55 175.36 2.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.947 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -59.47 -27.46 66.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -92.39 43.72 2.64 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.557 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.2 mptt -144.97 174.77 10.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.739 0.304 . . . . 0.0 110.962 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.462 ' CZ ' ' HB ' ' A' ' 87' ' ' ILE . 26.9 p90 -144.42 167.06 23.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.07 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -117.43 125.9 51.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.485 179.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -95.45 126.14 40.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.76 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 56.7 p-80 -71.44 -49.04 45.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.624 -179.403 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.42 -20.42 44.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.201 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 47.6 mt -104.93 -25.03 12.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.891 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 4.4 tmm_? 65.41 16.67 10.64 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.101 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -120.15 175.6 5.86 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.809 0.338 . . . . 0.0 110.758 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 5.3 p -103.87 94.17 5.27 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.585 179.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.462 ' HB ' ' CZ ' ' A' ' 78' ' ' PHE . 3.8 mp -84.46 148.46 4.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.085 -179.734 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.54 168.17 9.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.805 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 71.9 m -100.81 -45.08 5.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.07 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -53.11 -26.06 15.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.435 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.21 -24.25 34.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.292 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 7.3 pt -113.0 22.26 5.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.563 -0.289 . . . . 0.0 111.659 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . 0.431 ' HA ' ' CE1' ' A' ' 96' ' ' HIS . 1.6 m -60.51 116.93 4.7 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.934 0.397 . . . . 0.0 111.065 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 118.12 -34.22 4.54 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.909 -0.663 . . . . 0.0 112.256 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -139.03 57.58 1.66 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.886 0.374 . . . . 0.0 110.713 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.431 ' CE1' ' HA ' ' A' ' 93' ' ' CYS . 2.0 p-80 -126.94 155.69 75.27 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.144 -179.786 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -63.52 175.52 2.75 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.646 2.231 . . . . 0.0 112.127 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.15 -25.0 60.94 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.978 179.795 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.412 ' O ' ' CE2' ' A' ' 102' ' ' TYR . 0.1 OUTLIER -60.49 -17.99 48.76 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.022 179.754 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 53.7 m -122.01 16.44 10.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.902 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.416 ' HA ' ' HB2' ' A' ' 105' ' ' GLU . . . -69.85 -20.55 63.41 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.705 -179.715 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.412 ' CE2' ' O ' ' A' ' 99' ' ' GLN . 13.6 p90 -76.84 -13.45 60.0 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 111.812 0.301 . . . . 0.0 111.812 -179.661 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -89.52 -68.63 0.76 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.763 0.316 . . . . 0.0 110.931 -179.734 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 57.0 m -128.95 81.27 2.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.754 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.416 ' HB2' ' HA ' ' A' ' 101' ' ' ALA . 0.0 OUTLIER -166.19 -173.0 2.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.948 0.404 . . . . 0.0 111.251 -179.931 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -51.71 -29.7 19.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.259 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 33.1 mtpt -73.65 -28.24 61.68 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.082 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -151.5 102.36 2.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.022 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 3.4 mtm-85 . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.194 -0.908 . . . . 0.0 110.831 179.992 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.195 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.9 m -127.15 81.46 69.92 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 120.7 0.286 . . . . 0.0 110.896 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.479 ' HB2' ' CE3' ' A' ' 67' ' ' TRP . 25.6 Cg_exo -62.39 -65.43 0.06 OUTLIER 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.574 2.183 . . . . 0.0 112.179 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.479 ' CE3' ' HB2' ' A' ' 66' ' ' PRO . 17.4 m-90 -102.17 -65.16 1.0 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.895 0.379 . . . . 0.0 110.825 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.82 112.23 2.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.004 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.6 mt -104.47 -27.49 11.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.949 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 20.7 t -111.56 147.53 35.2 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.009 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 4.6 t -163.02 166.9 23.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.65 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 7.0 mtt180 -57.66 171.21 0.49 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.061 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.9 ptpt -83.63 -16.79 43.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.417 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.59 118.28 2.97 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-O 120.863 0.364 . . . . 0.0 111.13 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -59.71 -33.66 71.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.965 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -76.34 62.47 3.04 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.415 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.0 mttm -141.32 123.1 15.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.916 0.389 . . . . 0.0 110.931 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.477 ' CZ ' ' HB ' ' A' ' 87' ' ' ILE . 50.5 p90 -113.47 177.45 4.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.863 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -117.47 125.63 51.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.927 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -111.95 111.76 22.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.597 179.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.405 ' CG ' ' N ' ' A' ' 82' ' ' LEU . 36.7 p-80 -53.46 -49.11 68.12 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.961 -179.255 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.405 ' N ' ' CG ' ' A' ' 81' ' ' HIS . 1.9 pp -56.45 -21.83 28.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.667 0.27 . . . . 0.0 111.324 -179.686 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 23.8 mt -103.02 -25.4 13.45 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.929 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 66.16 18.53 10.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.179 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -134.03 178.6 6.83 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.771 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 9.0 p -103.43 98.01 7.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.24 179.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.477 ' HB ' ' CZ ' ' A' ' 78' ' ' PHE . 4.6 mp -83.73 146.74 6.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.817 -0.628 . . . . 0.0 111.371 -179.252 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -85.84 168.14 14.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.024 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 62.5 m -102.36 -44.86 5.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.934 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.434 ' CB ' ' CZ ' ' A' ' 103' ' ' PHE . . . -57.63 -34.91 69.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.26 -179.776 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 77.5 p -70.86 -17.24 62.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.486 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 6.3 pt -120.71 24.6 4.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 N-CA-C 111.688 0.255 . . . . 0.0 111.688 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . 0.44 ' HA ' ' CE1' ' A' ' 96' ' ' HIS . 1.6 m -61.33 116.72 4.85 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.955 0.407 . . . . 0.0 110.875 179.564 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 112.28 -28.07 9.51 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.353 -179.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -137.68 46.94 2.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.929 0.395 . . . . 0.0 110.697 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.451 ' HB2' ' HD2' ' A' ' 97' ' ' PRO . 2.0 p-80 -120.9 159.81 47.43 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.96 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.451 ' HD2' ' HB2' ' A' ' 96' ' ' HIS . 29.1 Cg_endo -63.29 171.61 6.29 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.436 2.091 . . . . 0.0 111.998 179.773 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.6 ttpt -57.32 -25.05 58.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.331 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -60.81 -35.33 76.22 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.309 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . 0.431 ' HB2' ' CG ' ' A' ' 96' ' ' HIS . 63.5 m -94.16 26.69 3.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.031 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -75.85 -30.02 58.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.925 0.393 . . . . 0.0 111.305 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 30.9 p90 -63.85 -16.96 62.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.278 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.434 ' CZ ' ' CB ' ' A' ' 90' ' ' ALA . 0.4 OUTLIER -90.04 -68.53 0.78 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.772 0.32 . . . . 0.0 110.881 -179.816 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 35.2 m -133.77 95.69 3.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.81 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -165.52 -172.9 2.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.124 0.487 . . . . 0.0 111.38 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -57.9 -23.07 51.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.396 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -94.31 36.63 1.13 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.838 0.351 . . . . 0.0 111.213 -179.806 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -179.08 43.07 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.891 0.377 . . . . 0.0 110.85 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 10.8 ttt-85 . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.224 -0.894 . . . . 0.0 110.886 -179.991 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.226 0 N-CA-C 112.435 -0.266 . . . . 0.0 112.435 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 78.7 p -110.09 127.42 27.1 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 120.48 0.181 . . . . 0.0 110.777 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.463 ' HB2' ' CD2' ' A' ' 67' ' ' TRP . 18.7 Cg_endo -59.56 -74.53 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.51 2.14 . . . . 0.0 112.358 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.463 ' CD2' ' HB2' ' A' ' 66' ' ' PRO . 0.5 OUTLIER -108.7 83.98 1.85 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.808 0.337 . . . . 0.0 110.807 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.6 t -169.69 137.19 1.7 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -103.45 -55.79 2.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.755 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.18 97.6 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.781 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 43.9 t -106.17 114.72 29.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.897 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -118.5 95.19 4.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.719 179.7 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.5 mmtt -94.67 -57.85 2.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.911 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -158.96 -165.2 1.57 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.825 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -80.01 -41.3 26.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.24 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -96.71 73.67 0.74 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.848 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 12.2 mmtm -140.01 164.72 29.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.709 0.29 . . . . 0.0 110.739 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.45 ' CE1' ' HB ' ' A' ' 87' ' ' ILE . 1.9 p90 -151.08 174.91 12.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.898 0.38 . . . . 0.0 111.085 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -117.21 137.84 52.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.932 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -112.7 130.77 55.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.608 179.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 69.0 t60 -68.65 -59.9 2.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.448 -179.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -48.13 -28.47 2.95 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.746 0.308 . . . . 0.0 111.202 -179.757 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 45.0 mt -96.42 -27.11 15.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.794 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.407 ' HG2' ' CZ3' ' A' ' 67' ' ' TRP . 54.2 mtt180 64.4 17.76 10.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.196 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -124.82 -178.97 4.33 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.878 0.37 . . . . 0.0 111.028 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 2.0 p -104.66 100.82 10.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.657 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.45 ' HB ' ' CE1' ' A' ' 78' ' ' PHE . 3.4 mp -94.41 159.36 2.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.249 -179.58 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -94.97 160.67 14.47 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.086 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 1.8 m -110.62 2.1 18.42 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.386 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.45 ' CB ' ' CZ ' ' A' ' 103' ' ' PHE . . . -99.07 -31.78 11.6 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.81 0.338 . . . . 0.0 111.23 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 65.6 p -85.66 -13.95 46.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.308 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 18.5 pt -95.88 26.26 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.626 0.251 . . . . 0.0 111.498 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.7 m -60.83 131.71 51.55 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.908 0.385 . . . . 0.0 110.635 179.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 97.16 -25.68 25.96 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.339 -179.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.3 mm100 -137.93 40.38 2.34 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.734 0.302 . . . . 0.0 111.174 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.439 ' CE1' ' HB2' ' A' ' 104' ' ' CYS . 23.3 p-80 -100.75 157.72 33.19 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.815 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -65.27 176.85 2.94 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.521 2.147 . . . . 0.0 112.304 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 3.9 ttpt -69.01 -32.01 71.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.023 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -58.54 -41.97 86.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.017 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 7.0 m -100.79 27.75 5.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.107 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.402 ' O ' ' HB2' ' A' ' 105' ' ' GLU . . . -69.15 -15.77 63.49 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.292 179.715 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 16.4 p90 -77.04 -0.38 24.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.265 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.45 ' CZ ' ' CB ' ' A' ' 90' ' ' ALA . 1.5 t80 -93.43 -58.06 2.4 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.641 0.258 . . . . 0.0 111.531 -179.271 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . 0.439 ' HB2' ' CE1' ' A' ' 96' ' ' HIS . 13.0 m -139.25 38.09 2.09 Favored 'General case' 0 CA--C 1.53 0.176 0 N-CA-C 111.73 0.27 . . . . 0.0 111.73 -179.162 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.402 ' HB2' ' O ' ' A' ' 101' ' ' ALA . 1.8 tt0 -117.98 -172.14 2.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.717 0.294 . . . . 0.0 110.757 179.609 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -40.51 -36.04 0.52 Allowed 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.646 -179.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -108.3 170.52 7.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.869 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.45 ' HG ' ' N ' ' A' ' 109' ' ' ARG . 1.4 pt? -175.98 -35.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.266 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.45 ' N ' ' HG ' ' A' ' 108' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.184 -0.912 . . . . 0.0 110.863 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.24 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 7.1 m -158.02 58.88 1.49 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 120.847 0.356 . . . . 0.0 110.969 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.428 ' HG2' ' CE3' ' A' ' 67' ' ' TRP . 15.1 Cg_endo -57.63 -72.66 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.643 2.229 . . . . 0.0 112.3 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.428 ' CE3' ' HG2' ' A' ' 66' ' ' PRO . 13.4 m-90 -88.37 101.32 13.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.827 0.346 . . . . 0.0 110.983 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 12.1 t -115.91 40.57 2.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.2 mp -105.13 -30.05 9.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.93 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 87.1 p -112.27 85.32 2.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.968 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 30.8 m -155.73 152.74 28.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.3 166.9 19.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.969 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 67.1 mttt -69.83 -18.16 63.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.226 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -51.52 155.64 1.49 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.8 0.333 . . . . 0.0 110.988 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.35 -35.88 16.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.024 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -87.63 64.6 3.7 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.636 -0.793 . . . . 0.0 112.599 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 13.9 mttt -143.15 139.74 30.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.791 0.329 . . . . 0.0 110.74 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.435 ' CZ ' ' HB ' ' A' ' 87' ' ' ILE . 39.5 p90 -131.69 173.37 11.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.965 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -115.13 118.17 32.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.672 179.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.418 ' HB3' ' HB2' ' A' ' 83' ' ' LEU . 11.6 t0 -94.22 116.9 29.36 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.878 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 24.3 p80 -61.32 -49.27 77.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.202 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.14 -22.11 26.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.445 -179.709 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.418 ' HB2' ' HB3' ' A' ' 80' ' ' ASP . 82.0 mt -104.26 -25.63 12.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.752 0.31 . . . . 0.0 111.267 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 4.3 ttm180 71.64 9.82 6.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.096 -179.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -123.23 -178.87 4.1 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.744 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 9.1 t -103.66 107.08 17.78 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.629 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.435 ' HB ' ' CZ ' ' A' ' 78' ' ' PHE . 3.1 mp -105.93 152.87 7.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.401 -179.463 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -101.06 165.87 11.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.565 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 50.9 m -97.51 -40.09 8.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.869 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.442 ' HB1' ' CE2' ' A' ' 103' ' ' PHE . . . -62.87 -37.18 85.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.131 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.8 m -69.49 -11.56 60.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.636 -179.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.4 ' CG1' ' HB3' ' A' ' 96' ' ' HIS . 12.5 pt -125.21 24.02 3.39 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 N-CA-C 111.684 0.253 . . . . 0.0 111.684 -179.682 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . 0.438 ' HA ' ' CE1' ' A' ' 96' ' ' HIS . 1.5 m -63.01 117.84 7.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.052 0.453 . . . . 0.0 111.085 179.628 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 118.64 -37.59 3.16 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.171 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -138.27 58.23 1.68 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.983 0.42 . . . . 0.0 110.449 179.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.438 ' CE1' ' HA ' ' A' ' 93' ' ' CYS . 1.6 p-80 -123.04 164.06 29.68 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.146 -179.478 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_exo -56.72 -178.01 0.07 OUTLIER 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.615 2.21 . . . . 0.0 112.115 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.6 -17.45 60.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.189 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.406 ' O ' ' CE2' ' A' ' 102' ' ' TYR . 3.4 pt20 -73.2 -30.56 63.61 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.047 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 68.6 m -94.01 24.08 4.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.996 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.428 ' HA ' ' HB2' ' A' ' 105' ' ' GLU . . . -76.56 -24.33 53.57 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.217 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.406 ' CE2' ' O ' ' A' ' 99' ' ' GLN . 19.9 p90 -69.22 -18.91 63.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.328 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.442 ' CE2' ' HB1' ' A' ' 90' ' ' ALA . 0.3 OUTLIER -88.01 -56.99 3.1 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.747 0.308 . . . . 0.0 110.769 -179.91 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 16.2 m -148.7 101.14 3.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.69 179.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.428 ' HB2' ' HA ' ' A' ' 101' ' ' ALA . 0.0 OUTLIER -164.22 -172.63 2.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.987 0.422 . . . . 0.0 111.165 179.909 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -48.05 -40.04 21.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.304 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -107.8 128.51 54.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.988 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -162.13 124.23 2.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.969 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.158 -0.925 . . . . 0.0 110.94 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.253 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.3 m -56.59 108.4 1.21 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 120.545 0.212 . . . . 0.0 110.963 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.465 ' HG2' ' CE3' ' A' ' 67' ' ' TRP . 38.6 Cg_endo -66.65 -35.56 28.37 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.487 2.125 . . . . 0.0 112.384 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.465 ' CE3' ' HG2' ' A' ' 66' ' ' PRO . 15.3 p90 -130.23 135.65 48.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.107 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -159.7 -90.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.76 179.804 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.1 mt -106.47 20.14 19.44 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.7 0.286 . . . . 0.0 111.083 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 60.5 p -83.0 -30.91 27.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.813 0.34 . . . . 0.0 110.942 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 72.3 m -131.21 -175.4 3.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.956 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 4.6 mtm180 -98.7 168.21 10.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.96 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.7 tttt -90.77 8.44 34.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.326 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 -53.55 129.88 34.08 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-O 120.834 0.35 . . . . 0.0 111.072 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -75.65 -24.25 56.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.106 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -52.86 -23.97 17.48 Favored Glycine 0 C--N 1.331 0.265 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.799 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 19.2 mttt -118.34 169.64 9.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.901 0.381 . . . . 0.0 111.019 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.458 ' CE1' ' HB ' ' A' ' 87' ' ' ILE . 4.1 p90 -131.09 174.12 10.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.692 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.423 ' CE2' ' HB3' ' A' ' 67' ' ' TRP . 7.9 t80 -117.14 135.17 53.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.05 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -114.92 111.76 21.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.531 179.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 8.0 p80 -55.56 -50.68 69.39 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.88 -179.145 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.46 -23.41 15.97 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.717 0.294 . . . . 0.0 111.333 -179.603 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 23.2 mt -98.92 -25.39 14.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.821 0.343 . . . . 0.0 110.948 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 66.74 17.48 10.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.1 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 58.9 m-20 -131.53 178.61 6.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.707 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 5.1 p -103.83 106.57 17.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.02 0.438 . . . . 0.0 110.47 179.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.458 ' HB ' ' CE1' ' A' ' 78' ' ' PHE . 3.1 mp -98.58 146.35 8.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.286 -179.508 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.04 168.35 17.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.659 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 42.3 m -104.53 -41.2 5.78 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.996 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.423 ' HB3' ' CZ ' ' A' ' 103' ' ' PHE . . . -65.61 -35.41 80.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.172 -179.817 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.42 -14.79 62.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.447 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 5.9 pt -119.63 21.59 5.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.7 -0.227 . . . . 0.0 111.562 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . 0.461 ' HA ' ' CE1' ' A' ' 96' ' ' HIS . 1.5 m -60.46 116.69 4.5 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.021 0.439 . . . . 0.0 110.91 179.613 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 118.27 -26.62 7.71 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.218 -179.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 5.3 mm100 -148.12 55.71 1.05 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.964 0.412 . . . . 0.0 110.817 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.461 ' CE1' ' HA ' ' A' ' 93' ' ' CYS . 2.0 p-80 -123.62 159.2 56.6 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.911 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.425 ' HD2' ' HB2' ' A' ' 96' ' ' HIS . 21.0 Cg_endo -60.94 170.41 4.77 Favored 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.547 2.164 . . . . 0.0 112.044 179.81 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 11.6 ttpt -56.03 -29.2 60.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.194 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -57.2 -36.68 71.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.167 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . 0.412 ' HB2' ' CG ' ' A' ' 96' ' ' HIS . 96.1 m -94.28 21.82 6.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.98 179.818 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.411 ' HA ' ' HB2' ' A' ' 105' ' ' GLU . . . -74.55 -22.08 59.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.481 -179.833 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 22.8 p90 -72.28 -10.0 59.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.41 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.423 ' CZ ' ' HB3' ' A' ' 90' ' ' ALA . 0.3 OUTLIER -98.0 -68.99 0.78 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.76 0.314 . . . . 0.0 110.798 -179.771 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 17.5 m -134.64 92.61 2.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.654 179.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.411 ' HB2' ' HA ' ' A' ' 101' ' ' ALA . 1.1 mm-40 -154.56 -171.78 3.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.096 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -35.48 -37.95 0.1 Allowed 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.665 -179.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.04 126.33 37.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.91 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 2.8 pp -177.11 -177.99 0.78 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.875 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.233 -0.889 . . . . 0.0 110.902 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.137 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.2 m -83.78 156.64 64.52 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 120.696 0.284 . . . . 0.0 110.906 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.47 ' HG2' ' CZ3' ' A' ' 67' ' ' TRP . 93.9 Cg_endo -80.83 1.69 9.11 Favored 'Trans proline' 0 N--CA 1.462 -0.365 0 C-N-CA 122.76 2.307 . . . . 0.0 112.702 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.47 ' CZ3' ' HG2' ' A' ' 66' ' ' PRO . 4.3 m95 -72.28 175.03 6.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.842 0.353 . . . . 0.0 110.913 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 30.4 t -146.36 153.88 41.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.825 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.8 tp -96.07 20.36 10.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.193 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 19.1 m -93.86 43.15 1.11 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.993 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 25.7 p -161.1 -179.62 7.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.8 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 30.5 mmt-85 -64.76 127.36 31.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.958 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.42 8.55 30.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.356 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -49.4 158.28 0.42 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.839 0.352 . . . . 0.0 111.247 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -75.69 -28.13 58.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.021 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -91.3 47.27 2.86 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.343 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.13 131.63 19.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.809 0.337 . . . . 0.0 110.824 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.464 ' CZ ' ' HB ' ' A' ' 87' ' ' ILE . 39.0 p90 -112.87 170.81 7.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.766 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.402 ' CD1' ' CE3' ' A' ' 67' ' ' TRP . 13.6 t80 -117.17 135.09 54.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.106 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -113.85 99.69 7.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.549 179.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 55.4 t60 -49.94 -53.28 27.22 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.715 -179.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.59 -28.29 3.35 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.871 0.367 . . . . 0.0 110.98 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 38.0 mt -98.34 -24.18 15.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.821 179.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 69.52 12.47 8.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.117 -179.753 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -122.75 174.98 6.78 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.514 179.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 3.3 m -104.08 98.98 8.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.613 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.464 ' HB ' ' CZ ' ' A' ' 78' ' ' PHE . 3.6 mp -90.63 149.52 4.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.183 -179.746 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -109.07 168.64 9.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.001 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 76.9 m -93.29 -35.15 13.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.658 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.405 ' HB1' ' CE2' ' A' ' 103' ' ' PHE . . . -70.55 -30.68 67.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.4 m -69.7 -16.98 63.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.132 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.422 HG13 ' H ' ' A' ' 93' ' ' CYS . 0.5 OUTLIER -108.21 -85.89 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.231 179.821 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . 0.422 ' H ' HG13 ' A' ' 92' ' ' ILE . 1.6 m 57.39 116.75 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.094 0.473 . . . . 0.0 111.654 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 110.62 -38.62 3.22 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.946 179.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 65.7 mm-40 -138.63 43.67 2.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.921 0.391 . . . . 0.0 111.0 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.401 ' HB3' ' CD1' ' A' ' 92' ' ' ILE . 2.0 p-80 -104.96 160.89 24.44 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.0 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -60.01 172.86 2.08 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.49 2.126 . . . . 0.0 111.937 179.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.35 -20.59 64.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.169 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.413 ' O ' ' CE2' ' A' ' 102' ' ' TYR . 1.3 pt20 -67.39 -39.17 85.57 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.325 -179.773 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 59.0 m -87.87 13.6 10.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.463 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.418 ' HA ' ' HB2' ' A' ' 105' ' ' GLU . . . -64.94 -16.05 62.86 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.59 0.233 . . . . 0.0 111.616 -179.77 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.413 ' CE2' ' O ' ' A' ' 99' ' ' GLN . 10.5 p90 -80.41 -0.94 39.28 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.741 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.405 ' CE2' ' HB1' ' A' ' 90' ' ' ALA . 0.8 OUTLIER -103.95 -68.29 0.85 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.811 0.339 . . . . 0.0 110.846 -179.897 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 72.2 m -130.29 81.45 2.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.588 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.418 ' HB2' ' HA ' ' A' ' 101' ' ' ALA . 3.0 mt-10 -166.01 -172.24 2.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.948 0.404 . . . . 0.0 111.47 -179.748 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -41.75 -45.18 3.46 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.379 -179.82 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -59.65 -60.48 3.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.965 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -127.35 136.08 51.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.886 -179.921 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.22 0 N-CA-C 112.43 -0.268 . . . . 0.0 112.43 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.3 m -124.23 127.96 25.17 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 120.569 0.224 . . . . 0.0 110.869 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -60.53 -57.18 0.75 Allowed 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.46 2.107 . . . . 0.0 112.42 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 26.3 m-90 -101.11 -178.43 3.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.99 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -151.7 89.78 1.5 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.762 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.2 pp -105.2 -46.29 4.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.066 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.2 124.35 0.51 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.966 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 5.9 t -163.16 149.7 12.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.56 161.29 20.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.862 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.43 -12.35 59.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.385 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.73 134.88 41.95 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.821 0.343 . . . . 0.0 111.091 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.43 -39.22 92.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.709 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -73.87 74.15 1.18 Allowed Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.408 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.9 mttm -159.6 166.01 31.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.884 0.373 . . . . 0.0 110.893 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.444 ' CZ ' ' HB ' ' A' ' 87' ' ' ILE . 33.6 p90 -163.52 171.12 16.31 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.832 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -115.29 133.29 56.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.914 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 57.5 t0 -109.27 130.33 55.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.758 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 54.5 p-80 -73.11 -49.78 26.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.601 -179.378 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.71 -21.67 42.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.209 -179.763 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 45.2 mt -104.75 -25.05 12.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.013 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 66.99 15.63 10.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.961 -179.812 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -124.32 176.85 6.18 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.863 0.363 . . . . 0.0 110.724 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 2.7 t -103.92 91.91 4.18 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.377 179.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.444 ' HB ' ' CZ ' ' A' ' 78' ' ' PHE . 3.9 mp -81.12 152.48 4.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.211 -179.59 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -99.32 168.24 10.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.084 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 95.9 m -94.31 -38.07 11.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.853 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -57.01 -45.43 83.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.434 -179.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -63.31 -16.76 61.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.459 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 16.4 pt -121.34 24.48 4.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 N-CA-C 111.746 0.276 . . . . 0.0 111.746 -179.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . 0.45 ' HA ' ' CE1' ' A' ' 96' ' ' HIS . 1.6 m -63.37 120.07 10.9 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.94 0.4 . . . . 0.0 111.013 179.758 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 120.04 -41.19 2.01 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.386 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -137.93 62.01 1.58 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.971 0.415 . . . . 0.0 110.671 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.45 ' CE1' ' HA ' ' A' ' 93' ' ' CYS . 1.7 p-80 -126.32 163.09 42.37 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.912 -179.811 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.85 176.89 0.06 OUTLIER 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.579 2.186 . . . . 0.0 112.122 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 9.3 ttpt -70.28 -31.03 68.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.991 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.433 ' O ' ' CE2' ' A' ' 102' ' ' TYR . 0.6 OUTLIER -59.75 -31.9 70.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.062 -179.778 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 20.8 m -90.8 25.94 2.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.024 179.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.507 ' HA ' ' HB2' ' A' ' 105' ' ' GLU . . . -78.74 -30.54 45.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.908 0.385 . . . . 0.0 111.281 -179.768 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.433 ' CE2' ' O ' ' A' ' 99' ' ' GLN . 11.4 p90 -61.09 -18.09 56.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.359 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -89.85 -69.71 0.71 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.753 0.311 . . . . 0.0 111.032 -179.516 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 37.6 m -132.65 92.08 3.01 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.618 179.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.507 ' HB2' ' HA ' ' A' ' 101' ' ' ALA . 0.2 OUTLIER -166.47 -172.0 2.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.988 0.423 . . . . 0.0 111.281 -179.785 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -40.35 -53.51 2.57 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.275 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.5 120.74 43.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 2.4 pp -149.98 35.28 0.67 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.909 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.243 -0.884 . . . . 0.0 110.855 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.172 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 62.2 m -117.13 82.06 13.57 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 120.73 0.3 . . . . 0.0 110.933 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.452 ' HB2' ' CE3' ' A' ' 67' ' ' TRP . 68.7 Cg_endo -75.31 -47.48 0.19 Allowed 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.481 2.121 . . . . 0.0 112.44 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.452 ' CE3' ' HB2' ' A' ' 66' ' ' PRO . 16.6 m-90 -131.92 -47.61 0.94 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.78 0.324 . . . . 0.0 111.099 179.743 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.4 t -54.65 164.02 0.83 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.192 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.51 -56.28 3.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.97 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -155.58 161.03 40.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.939 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 1.9 m -148.38 -176.38 5.28 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 6.8 mmt180 -59.41 159.43 8.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.011 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.73 -7.64 58.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.511 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.89 123.63 14.92 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.87 0.366 . . . . 0.0 111.063 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -74.77 -9.42 58.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.363 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -88.42 11.98 66.31 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.594 -0.812 . . . . 0.0 112.773 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 10.9 mttt -109.76 146.01 35.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.896 0.379 . . . . 0.0 110.958 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.491 ' CE1' ' HB ' ' A' ' 87' ' ' ILE . 10.3 p90 -123.07 176.85 5.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -116.89 109.66 17.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.738 179.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -90.47 113.82 25.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.715 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 15.0 p80 -55.31 -48.78 73.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.704 -179.426 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.3 pp -57.63 -19.87 29.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.734 0.302 . . . . 0.0 111.406 -179.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 46.7 mt -104.72 -23.43 13.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.075 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 3.3 mpp_? 63.46 18.0 10.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 -179.562 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 52.8 m-20 -132.22 -179.33 5.36 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.746 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 13.6 p -103.85 107.19 17.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.988 0.423 . . . . 0.0 110.496 179.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.491 ' HB ' ' CE1' ' A' ' 78' ' ' PHE . 3.0 mp -101.47 153.49 4.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.355 -179.476 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -93.07 168.67 10.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.592 179.817 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 56.1 m -108.81 -29.59 8.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.073 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.421 ' HB1' ' CE2' ' A' ' 103' ' ' PHE . . . -82.33 -15.39 53.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.638 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 80.5 p -91.53 -21.59 20.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.678 -0.237 . . . . 0.0 111.563 -179.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.403 ' CG1' ' HB3' ' A' ' 96' ' ' HIS . 5.6 pt -111.09 24.43 3.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 111.649 0.24 . . . . 0.0 111.649 -179.621 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . 0.442 ' HA ' ' CE1' ' A' ' 96' ' ' HIS . 1.6 m -59.73 116.64 4.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.998 0.428 . . . . 0.0 110.868 179.689 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 120.22 -33.07 4.67 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.917 -0.659 . . . . 0.0 112.211 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -143.72 60.16 1.38 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.977 0.418 . . . . 0.0 110.618 179.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.442 ' CE1' ' HA ' ' A' ' 93' ' ' CYS . 1.8 p-80 -125.62 159.68 59.59 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.013 -179.645 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.431 ' HD2' ' HB2' ' A' ' 96' ' ' HIS . 19.2 Cg_endo -58.61 176.58 0.4 Allowed 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.537 2.158 . . . . 0.0 112.178 179.749 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.52 -24.25 67.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.202 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -63.57 -36.0 82.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.776 0.322 . . . . 0.0 111.162 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 96.0 m -95.06 24.88 4.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.073 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -78.28 -27.34 47.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.798 0.333 . . . . 0.0 111.33 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 25.7 p90 -65.7 -14.94 62.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.386 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.421 ' CE2' ' HB1' ' A' ' 90' ' ' ALA . 0.5 OUTLIER -90.38 -69.92 0.7 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.639 0.257 . . . . 0.0 111.127 -179.692 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 34.9 m -129.86 87.94 2.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.935 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -166.34 -172.96 2.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.861 0.363 . . . . 0.0 111.04 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -51.97 -30.79 26.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.004 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.1 mtmt -67.55 -57.11 7.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.822 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -122.14 103.15 8.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 34.6 mtm-85 . . . . . 0 C--O 1.25 1.079 0 CA-C-O 118.18 -0.914 . . . . 0.0 110.93 179.972 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.229 0 N-CA-C 112.541 -0.224 . . . . 0.0 112.541 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 83.6 p -76.74 121.46 84.85 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 120.588 0.233 . . . . 0.0 110.865 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.423 ' HB2' ' CE3' ' A' ' 67' ' ' TRP . 52.1 Cg_exo -54.71 -62.08 0.33 Allowed 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.467 2.111 . . . . 0.0 112.296 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.423 ' CE3' ' HB2' ' A' ' 66' ' ' PRO . 30.2 m-90 -86.19 168.62 13.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.98 -179.8 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 11.4 t -91.18 -19.05 23.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.168 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 36.8 mt -80.62 0.38 34.37 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.525 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 16.2 t -54.54 154.17 5.04 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.914 0.388 . . . . 0.0 111.018 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -120.13 129.08 54.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.825 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.6 mmt85 -118.13 99.82 7.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.993 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -86.87 -30.02 21.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.854 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -136.76 -172.44 3.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.842 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -93.07 -28.44 16.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.918 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -100.42 62.56 0.63 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.668 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.8 mtpt -131.06 164.98 24.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.742 0.306 . . . . 0.0 110.714 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.49 ' CE1' ' HB ' ' A' ' 87' ' ' ILE . 2.4 p90 -138.24 172.54 12.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.962 0.41 . . . . 0.0 111.03 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -113.6 122.31 46.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.772 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -100.81 106.59 18.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.753 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 5.3 p80 -56.25 -46.2 79.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.366 -179.624 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.8 pp -56.22 -22.65 30.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.235 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 58.0 mt -104.27 -24.58 13.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.066 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.1 mtt-85 67.73 14.01 9.38 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.052 -179.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -125.64 -178.93 4.42 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.756 0.312 . . . . 0.0 110.724 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 28.9 p -103.69 112.7 25.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.014 0.435 . . . . 0.0 110.618 179.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.49 ' HB ' ' CE1' ' A' ' 78' ' ' PHE . 2.7 mp -110.32 158.69 10.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.385 -179.418 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -94.27 162.39 13.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.707 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . 0.449 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 77.8 m -94.06 -30.7 14.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.811 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.404 ' HB3' ' CZ ' ' A' ' 103' ' ' PHE . . . -58.06 -54.43 47.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.48 -179.857 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 69.9 m -57.08 -22.39 39.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.596 -179.571 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 25.1 pt -112.01 27.73 2.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 111.699 0.259 . . . . 0.0 111.699 -179.628 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.7 m -63.95 126.19 26.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.82 0.343 . . . . 0.0 110.705 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 101.11 -30.68 9.84 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.481 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -135.95 57.88 1.77 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.861 0.362 . . . . 0.0 110.982 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 27.5 p-80 -123.29 156.75 63.06 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.885 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -64.3 175.31 3.42 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.61 2.206 . . . . 0.0 112.405 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 4.5 ttpt -59.86 -29.85 68.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.026 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.414 ' O ' ' CE2' ' A' ' 102' ' ' TYR . 5.8 tp-100 -54.97 -39.9 69.46 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.959 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 52.0 m -91.6 25.97 2.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.854 179.707 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.503 ' HA ' ' HB2' ' A' ' 105' ' ' GLU . . . -69.5 -14.93 63.13 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.479 -179.858 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.414 ' CE2' ' O ' ' A' ' 99' ' ' GLN . 35.2 p90 -91.16 -0.63 57.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.873 -179.45 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.449 ' CD2' ' HB2' ' A' ' 89' ' ' CYS . 2.9 t80 -102.73 -72.49 0.69 Allowed 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 111.764 0.283 . . . . 0.0 111.764 -179.099 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 14.2 m -122.63 51.68 1.38 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.85 0.357 . . . . 0.0 111.071 -179.427 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.503 ' HB2' ' HA ' ' A' ' 101' ' ' ALA . 0.6 OUTLIER -140.8 -171.83 3.33 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.021 -179.775 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.536 ' O ' ' HG2' ' A' ' 107' ' ' LYS . 6.8 p30 -60.89 74.52 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.254 -179.78 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.536 ' HG2' ' O ' ' A' ' 106' ' ' ASN . 0.0 OUTLIER -178.56 -52.43 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.676 179.922 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -124.48 128.43 48.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.946 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.201 -0.904 . . . . 0.0 110.907 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.14 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.2 144.73 38.56 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 120.682 0.277 . . . . 0.0 110.909 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -68.04 -42.35 6.22 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.554 2.169 . . . . 0.0 112.27 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 19.4 m-90 -119.65 -178.17 3.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.964 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 30.0 t -149.67 -44.22 0.14 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.022 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -94.15 20.4 8.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.265 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.6 m -88.57 -57.44 2.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.798 0.332 . . . . 0.0 111.106 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 25.0 p -141.96 114.85 8.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.857 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -118.29 95.7 5.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.885 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.4 mtmt -94.14 -56.47 2.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.838 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -149.39 -174.82 4.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -80.16 -3.46 49.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.348 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -119.21 26.44 7.41 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.625 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 5.3 mptt -110.95 133.01 53.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.814 0.34 . . . . 0.0 110.838 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.437 ' CZ ' ' HB ' ' A' ' 87' ' ' ILE . 32.6 p90 -123.23 169.97 10.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.927 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -117.24 124.11 48.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.032 179.688 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -97.49 102.14 13.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.715 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 49.6 p-80 -56.29 -47.72 78.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.443 -179.475 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.2 pp -54.46 -23.26 15.4 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.229 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 49.5 mt -102.64 -24.34 13.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.062 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 72.1 10.49 6.04 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.087 -179.6 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -121.91 176.1 5.95 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.687 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 57.1 m -103.83 105.85 16.19 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.481 179.543 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.458 ' CD1' ' N ' ' A' ' 87' ' ' ILE . 2.7 mp -99.22 146.79 7.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.223 -179.449 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.21 168.81 10.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.974 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 57.7 m -93.32 -30.49 15.11 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.988 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -69.16 -37.37 78.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.471 -179.665 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.71 -12.01 61.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.613 -179.661 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.406 ' CG1' ' HB3' ' A' ' 96' ' ' HIS . 9.5 pt -126.31 26.07 2.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.68 0.276 . . . . 0.0 111.614 -179.702 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.7 m -58.41 116.86 3.9 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.788 0.328 . . . . 0.0 110.865 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 115.71 -47.18 1.06 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.408 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 -124.2 64.07 1.08 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.902 0.382 . . . . 0.0 110.74 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.461 ' CG ' ' HB2' ' A' ' 100' ' ' CYS . 1.9 p-80 -132.41 163.88 47.39 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.192 -179.724 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -58.78 -176.85 0.1 OUTLIER 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.698 2.266 . . . . 0.0 112.439 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.68 -31.55 70.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.045 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.98 -25.44 63.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.06 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . 0.461 ' HB2' ' CG ' ' A' ' 96' ' ' HIS . 92.4 m -106.18 0.67 25.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.356 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -52.65 -67.2 0.27 Allowed 'General case' 0 C--O 1.231 0.11 0 CA-C-O 120.921 0.391 . . . . 0.0 111.529 -179.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.407 ' HA ' ' HB2' ' A' ' 106' ' ' ASN . 27.8 p90 -48.48 -24.31 1.24 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.796 -179.756 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -58.27 -61.91 2.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.914 -179.242 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 2.1 m -122.02 -39.73 2.58 Favored 'General case' 0 N--CA 1.463 0.18 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 -178.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -105.62 106.52 17.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.136 0.493 . . . . 0.0 111.529 -179.346 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.407 ' HB2' ' HA ' ' A' ' 102' ' ' TYR . 0.8 OUTLIER -179.6 -41.62 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.874 179.782 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.57 26.19 0.84 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.047 179.349 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 19.8 mt -137.03 22.58 3.04 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.105 -179.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.252 -0.88 . . . . 0.0 110.84 180.0 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.222 0 N-CA-C 112.571 -0.212 . . . . 0.0 112.571 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -152.74 164.03 21.62 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 120.671 0.272 . . . . 0.0 110.908 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.446 ' HB2' ' CE3' ' A' ' 67' ' ' TRP . 55.1 Cg_endo -69.62 -48.37 0.76 Allowed 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.526 2.15 . . . . 0.0 112.514 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.446 ' CE3' ' HB2' ' A' ' 66' ' ' PRO . 20.3 m-90 -127.35 64.08 1.34 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.861 179.764 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 29.0 t -99.67 94.07 6.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.92 0.39 . . . . 0.0 111.12 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -95.9 -43.76 7.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.587 179.748 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.93 66.58 0.06 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.715 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 3.1 m -107.49 -176.36 3.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.7 mpt_? -67.59 134.32 51.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.9 mmtp -94.0 3.79 54.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.47 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -60.66 167.9 2.48 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.799 0.333 . . . . 0.0 110.852 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -93.07 -20.74 20.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.213 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -92.58 40.44 2.86 Favored Glycine 0 C--N 1.331 0.277 0 C-N-CA 120.623 -0.798 . . . . 0.0 112.677 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 12.8 mttt -141.93 155.13 45.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.821 0.343 . . . . 0.0 110.866 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.46 ' CE1' ' HB ' ' A' ' 87' ' ' ILE . 1.4 p90 -140.47 173.58 11.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.008 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -117.25 123.18 45.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.951 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.432 ' CB ' HD12 ' A' ' 87' ' ' ILE . 47.2 t0 -99.39 112.01 24.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.73 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 10.9 p80 -57.79 -53.67 55.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.557 -179.556 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.9 pp -48.94 -27.47 3.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.791 0.329 . . . . 0.0 111.209 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 21.7 mt -96.37 -24.27 16.23 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.838 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 67.52 16.65 9.96 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 -179.713 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -130.89 176.79 7.93 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.556 179.782 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 4.9 m -103.73 117.89 35.43 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.955 0.407 . . . . 0.0 110.406 179.579 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.46 ' HB ' ' CE1' ' A' ' 78' ' ' PHE . 3.6 mp -113.63 159.93 13.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.366 -179.393 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.54 163.15 13.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.979 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 64.2 m -93.61 -46.2 7.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.826 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.413 ' HB1' ' CE2' ' A' ' 103' ' ' PHE . . . -56.13 -25.51 46.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.323 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 20.6 t -88.86 5.65 42.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.535 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.417 HD12 ' CE1' ' A' ' 78' ' ' PHE . 13.3 pt -135.88 21.91 0.95 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.151 0 N-CA-C 111.647 0.24 . . . . 0.0 111.647 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.7 m -60.05 116.39 4.13 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.911 0.386 . . . . 0.0 110.625 179.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 116.76 -37.99 3.17 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 121.015 -0.612 . . . . 0.0 112.054 -179.484 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -132.36 62.36 1.65 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.866 0.365 . . . . 0.0 110.618 179.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.444 ' HB2' ' HD2' ' A' ' 97' ' ' PRO . 9.3 p-80 -132.06 159.55 71.63 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.197 -179.635 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.444 ' HD2' ' HB2' ' A' ' 96' ' ' HIS . 56.7 Cg_endo -71.22 169.53 20.45 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.481 2.12 . . . . 0.0 112.146 179.727 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 6.8 ttpt -50.17 -27.33 5.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.461 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.11 -40.75 81.98 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.126 -179.73 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . 0.437 ' HB2' ' HB2' ' A' ' 96' ' ' HIS . 92.1 m -93.93 25.02 3.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.864 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.65 -16.87 59.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.59 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 23.7 p90 -79.42 -1.39 37.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.516 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.413 ' CE2' ' HB1' ' A' ' 90' ' ' ALA . 0.5 OUTLIER -104.94 -68.81 0.84 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.785 0.326 . . . . 0.0 110.84 -179.692 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 55.6 m -132.26 85.78 2.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.536 179.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -150.28 -172.8 4.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.006 0.432 . . . . 0.0 111.171 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -56.56 -49.21 75.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.297 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.11 -29.92 65.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.158 -179.772 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -113.56 -166.19 1.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.831 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 10.6 tpp180 . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.912 -179.927 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.21 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 69.1 m -127.81 128.2 23.89 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 120.533 0.206 . . . . 0.0 110.882 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.459 ' HG2' ' CE3' ' A' ' 67' ' ' TRP . 36.4 Cg_endo -65.23 -42.29 13.92 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.479 2.119 . . . . 0.0 112.312 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.459 ' CE3' ' HG2' ' A' ' 66' ' ' PRO . 16.9 p90 -121.22 135.61 55.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -175.15 -64.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.7 mp -106.03 -6.1 18.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.304 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 20.3 t -57.25 -38.25 73.55 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.726 0.298 . . . . 0.0 111.093 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 1.8 m -145.65 179.0 7.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.068 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.8 mmm180 -97.12 176.58 5.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.955 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.5 mttm -68.88 -8.13 41.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.611 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -44.38 132.24 6.05 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 120.806 0.336 . . . . 0.0 111.361 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -76.53 -27.1 55.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.111 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -54.19 -38.81 62.35 Favored Glycine 0 C--N 1.33 0.218 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.659 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 12.3 mttm -100.27 174.28 6.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.741 0.305 . . . . 0.0 110.787 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.49 ' CZ ' ' HB ' ' A' ' 87' ' ' ILE . 34.7 p90 -159.16 168.18 27.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.945 0.402 . . . . 0.0 111.201 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.417 ' CD2' ' HB3' ' A' ' 67' ' ' TRP . 3.7 t80 -117.59 129.73 55.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.699 179.729 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -108.09 114.67 28.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.717 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 6.2 p80 -58.65 -48.36 81.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.409 -179.5 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.4 pp -55.79 -23.45 30.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.775 0.321 . . . . 0.0 111.134 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 33.4 mt -99.96 -24.01 14.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.026 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 66.85 15.4 10.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.08 -179.654 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -131.74 178.25 6.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.579 179.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 47.8 t -103.59 103.87 13.86 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.979 0.418 . . . . 0.0 110.276 179.66 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.49 ' HB ' ' CZ ' ' A' ' 78' ' ' PHE . 3.4 mp -93.33 126.69 45.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.421 -179.345 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.41 ' O ' HG12 ' A' ' 92' ' ' ILE . 0.5 OUTLIER -85.43 168.47 14.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.772 179.844 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 68.9 m -94.71 -40.91 9.54 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.947 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.448 ' CB ' ' CZ ' ' A' ' 103' ' ' PHE . . . -68.32 -32.52 72.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.508 -179.604 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 67.0 m -80.15 -5.56 56.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.742 -179.619 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.47 HG13 ' HB3' ' A' ' 96' ' ' HIS . 45.5 pt -120.62 28.22 3.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 111.68 0.252 . . . . 0.0 111.68 -179.675 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 2.9 m -51.53 154.36 1.91 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.822 0.344 . . . . 0.0 110.43 179.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 76.13 -57.18 3.2 Favored Glycine 0 CA--C 1.519 0.328 0 C-N-CA 120.734 -0.746 . . . . 0.0 113.225 179.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -113.23 78.12 1.11 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.88 0.371 . . . . 0.0 111.219 -179.477 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.49 ' CE1' ' HB2' ' A' ' 104' ' ' CYS . 9.2 p-80 -132.64 159.7 71.39 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.042 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -72.28 -177.44 2.69 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.386 2.057 . . . . 0.0 111.984 179.549 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 19.8 ttpt -66.17 -26.73 67.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.054 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.442 ' O ' ' CE2' ' A' ' 102' ' ' TYR . 0.8 OUTLIER -59.9 -54.03 50.88 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.06 -179.784 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . 0.437 ' HB2' ' HB2' ' A' ' 96' ' ' HIS . 89.0 m -77.75 4.08 12.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.597 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.47 ' HA ' ' HB2' ' A' ' 105' ' ' GLU . . . -50.78 -23.71 2.93 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.871 0.367 . . . . 0.0 111.584 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.442 ' CE2' ' O ' ' A' ' 99' ' ' GLN . 10.1 p90 -82.28 -0.53 45.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.861 -179.59 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.448 ' CZ ' ' CB ' ' A' ' 90' ' ' ALA . 1.5 t80 -101.47 -72.62 0.68 Allowed 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -179.179 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . 0.49 ' HB2' ' CE1' ' A' ' 96' ' ' HIS . 1.0 OUTLIER -115.79 43.73 2.05 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.559 0.219 . . . . 0.0 111.146 -179.061 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.47 ' HB2' ' HA ' ' A' ' 101' ' ' ALA . 2.9 tt0 -128.5 -171.84 2.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.046 0.451 . . . . 0.0 111.774 -179.465 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -35.47 -58.23 0.59 Allowed 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 115.383 -0.826 . . . . 0.0 112.164 -179.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.76 131.15 35.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.878 0.37 . . . . 0.0 110.882 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 3.7 pp -173.15 -178.18 1.71 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.906 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.23 -0.891 . . . . 0.0 110.925 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.249 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 17.4 t -122.29 96.27 46.37 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 120.614 0.245 . . . . 0.0 110.889 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.499 ' HG2' ' CZ3' ' A' ' 67' ' ' TRP . 72.1 Cg_endo -77.0 -3.15 13.44 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.476 2.118 . . . . 0.0 112.648 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.499 ' CZ3' ' HG2' ' A' ' 66' ' ' PRO . 3.5 m95 -70.22 117.92 12.38 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.667 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 16.9 p -173.11 -66.05 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.898 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -94.84 20.37 8.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.1 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 66.9 m -55.34 168.36 0.37 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.88 0.372 . . . . 0.0 111.11 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 1.1 p -119.23 118.43 31.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.78 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 4.7 ptp180 -109.45 97.04 6.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.013 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.7 mttm -66.69 -31.41 72.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.795 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -158.88 -179.04 7.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.881 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -76.64 -26.8 55.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.027 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -100.31 63.74 0.61 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.689 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -142.38 173.71 11.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.654 0.264 . . . . 0.0 110.796 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.529 ' CZ ' ' HB ' ' A' ' 87' ' ' ILE . 26.1 p90 -141.24 165.27 27.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.939 0.4 . . . . 0.0 111.188 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -117.5 115.45 25.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.65 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.456 ' HB3' ' HB2' ' A' ' 83' ' ' LEU . 35.4 t0 -84.04 118.6 24.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.974 0.416 . . . . 0.0 110.635 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 9.1 p80 -63.22 -50.19 71.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.76 -179.294 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.76 -18.81 46.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.812 -179.278 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.456 ' HB2' ' HB3' ' A' ' 80' ' ' ASP . 53.1 mt -101.99 -24.24 14.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.609 0.242 . . . . 0.0 111.38 -179.839 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 65.14 16.89 10.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.743 -179.345 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -126.17 -178.85 4.46 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.583 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 2.6 p -106.04 111.85 24.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.959 0.409 . . . . 0.0 110.73 179.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.529 ' HB ' ' CZ ' ' A' ' 78' ' ' PHE . 3.0 mp -112.46 146.88 16.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.151 -179.769 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.2 m -100.19 165.61 11.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.853 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 97.6 m -93.98 -46.78 7.0 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.43 ' HB3' ' CZ ' ' A' ' 103' ' ' PHE . . . -52.7 -32.58 43.41 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.403 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 70.4 m -78.68 -4.24 48.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.406 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 10.9 pt -135.95 21.41 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.748 -0.206 . . . . 0.0 111.552 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . 0.464 ' HA ' ' CE1' ' A' ' 96' ' ' HIS . 1.5 m -61.49 117.07 5.24 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.926 0.393 . . . . 0.0 111.142 179.821 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 120.0 -34.97 3.97 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.302 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -140.6 58.69 1.56 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.064 0.459 . . . . 0.0 110.594 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.464 ' CE1' ' HA ' ' A' ' 93' ' ' CYS . 1.9 p-80 -126.92 164.07 37.43 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.006 -179.664 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -58.79 168.12 4.63 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.484 2.123 . . . . 0.0 112.091 179.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.69 -28.03 65.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.113 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.408 ' OE1' ' CD1' ' A' ' 78' ' ' PHE . 1.2 pt20 -59.28 -30.88 68.63 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.158 -179.778 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . 0.408 ' SG ' ' CE2' ' A' ' 78' ' ' PHE . 21.8 m -93.35 25.91 3.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.984 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.487 ' HA ' ' HB2' ' A' ' 105' ' ' GLU . . . -76.38 -32.55 58.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.543 -179.657 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 40.1 p90 -63.66 -15.71 59.04 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.447 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.43 ' CZ ' ' HB3' ' A' ' 90' ' ' ALA . 0.3 OUTLIER -94.75 -61.14 1.55 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.72 0.295 . . . . 0.0 110.958 -179.67 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 18.8 m -144.46 95.39 2.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.983 179.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.487 ' HB2' ' HA ' ' A' ' 101' ' ' ALA . 0.0 OUTLIER -150.36 -172.16 4.1 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.028 0.442 . . . . 0.0 111.546 179.901 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -38.81 -66.92 0.24 Allowed 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.535 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.1 pttm -94.97 53.84 1.62 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.939 0.4 . . . . 0.0 110.961 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -173.13 111.73 0.21 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.983 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.281 -0.866 . . . . 0.0 110.923 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.174 0 N-CA-C 112.531 -0.228 . . . . 0.0 112.531 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -158.65 87.42 2.29 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 120.749 0.309 . . . . 0.0 110.848 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.471 ' HB2' ' CE3' ' A' ' 67' ' ' TRP . 32.4 Cg_exo -57.5 -64.42 0.12 Allowed 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.624 2.216 . . . . 0.0 112.346 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.471 ' CE3' ' HB2' ' A' ' 66' ' ' PRO . 9.9 m-90 -101.37 -51.59 3.45 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.989 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.6 t -56.25 138.13 50.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.085 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.5 mt -102.69 -40.82 6.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.944 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.2 t -148.59 168.48 22.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.993 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 4.4 t -142.71 165.39 27.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.405 ' NH1' ' HB3' ' A' ' 72' ' ' ARG . 0.5 OUTLIER -57.92 173.71 0.3 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.916 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.2 -16.34 63.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.346 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -52.16 112.18 0.75 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.846 0.355 . . . . 0.0 111.034 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -70.64 -45.09 65.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -72.83 75.63 0.88 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.473 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 19.3 mttt -145.24 152.14 39.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.895 0.378 . . . . 0.0 110.901 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.468 ' CE1' ' HB ' ' A' ' 87' ' ' ILE . 4.0 p90 -127.54 -177.33 4.05 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.807 179.753 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -116.97 118.23 31.86 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.942 0.401 . . . . 0.0 111.096 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -102.36 98.04 8.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.391 179.65 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 5.9 p80 -46.95 -48.04 21.61 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.673 -179.367 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.36 -25.24 9.24 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.875 0.369 . . . . 0.0 110.879 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.43 ' O ' ' CG ' ' A' ' 84' ' ' ARG . 33.6 mt -104.43 -21.43 13.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.803 179.724 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.43 ' CG ' ' O ' ' A' ' 83' ' ' LEU . 0.1 OUTLIER 64.06 16.1 9.72 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.4 -179.622 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -126.9 -179.19 4.71 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.588 179.772 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 15.6 p -103.97 101.99 11.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.656 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.468 ' HB ' ' CE1' ' A' ' 78' ' ' PHE . 3.0 mp -95.87 159.17 2.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.118 -179.71 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -82.32 165.84 20.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.129 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 90.4 m -102.49 -37.78 7.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.422 ' HB3' ' CZ ' ' A' ' 103' ' ' PHE . . . -54.43 -42.58 70.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.312 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 34.2 p -65.3 -15.78 62.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.414 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.431 HD12 ' CE1' ' A' ' 78' ' ' PHE . 14.3 pt -118.78 24.7 4.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.584 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.6 m -61.79 121.21 12.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.937 0.398 . . . . 0.0 110.833 179.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 108.13 -36.08 4.59 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.924 -0.655 . . . . 0.0 112.231 -179.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -131.9 59.26 1.71 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.845 0.355 . . . . 0.0 110.67 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.469 ' CD2' ' CB ' ' A' ' 100' ' ' CYS . 32.2 p-80 -129.52 157.07 77.53 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.944 -179.757 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_endo -61.31 -176.88 0.18 Allowed 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.607 2.204 . . . . 0.0 112.232 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.57 -38.5 87.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.083 -179.812 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.39 -36.27 42.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.123 -179.79 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . 0.469 ' CB ' ' CD2' ' A' ' 96' ' ' HIS . 24.9 m -91.94 13.62 18.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.005 179.692 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -69.21 -16.1 63.54 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.748 0.309 . . . . 0.0 111.657 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 18.6 p90 -79.89 -0.75 36.21 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.637 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.422 ' CZ ' ' HB3' ' A' ' 90' ' ' ALA . 1.1 t80 -104.02 -68.57 0.84 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.752 0.311 . . . . 0.0 111.119 -179.792 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 86.6 m -127.61 75.07 1.57 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.932 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -155.53 -172.79 4.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.955 0.407 . . . . 0.0 111.12 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -49.33 -30.37 7.43 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.457 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 3.4 mmmt -60.57 -79.21 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.081 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -85.09 165.48 17.45 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.93 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.27 -0.871 . . . . 0.0 110.829 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 44.5 mttt . . . . . 0 C--O 1.233 0.202 0 CA-C-O 120.817 0.342 . . . . 0.0 111.057 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.494 ' CE1' ' HB ' ' A' ' 87' ' ' ILE . 3.2 p90 -165.13 167.41 18.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -112.94 116.37 29.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.833 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.921 ' HB2' HD13 ' A' ' 87' ' ' ILE . 2.0 t0 -88.89 104.91 17.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.583 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 26.3 t60 -51.55 -60.34 3.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.848 -179.415 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.524 HD23 ' H ' ' A' ' 82' ' ' LEU . 0.2 OUTLIER -46.81 -28.3 1.51 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.52 -179.491 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.434 ' HB2' ' HB3' ' A' ' 80' ' ' ASP . 76.4 mt -94.09 -28.13 15.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.923 0.392 . . . . 0.0 111.019 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 7.1 ttt-85 69.13 12.28 8.46 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.999 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -120.81 -179.36 3.98 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.602 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 7.8 p -103.73 109.91 21.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.38 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.921 HD13 ' HB2' ' A' ' 80' ' ' ASP . 2.6 mp -107.23 150.43 9.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.235 -179.337 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.22 168.32 11.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.918 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 75.1 m -108.0 -30.66 8.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.983 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.913 ' HB2' ' CZ ' ' A' ' 103' ' ' PHE . . . -74.81 -31.22 61.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.206 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.59 -24.81 60.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.153 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.523 HD12 ' CB ' ' A' ' 96' ' ' HIS . 11.3 pt -110.22 26.47 2.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.608 -179.737 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.6 m -60.84 123.89 18.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.946 0.403 . . . . 0.0 110.846 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 103.4 -28.65 14.72 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.24 -179.721 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -138.88 60.12 1.6 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.007 0.432 . . . . 0.0 110.599 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' HIS . . . . . 0.523 ' CB ' HD12 ' A' ' 92' ' ' ILE . 30.3 p-80 -132.12 157.06 79.24 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.107 -179.649 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.403 ' HD2' ' HB2' ' A' ' 96' ' ' HIS . 19.8 Cg_endo -58.45 -176.62 0.09 OUTLIER 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.603 2.202 . . . . 0.0 112.065 179.703 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.67 -34.11 75.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.25 -179.652 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.423 ' O ' ' CE2' ' A' ' 102' ' ' TYR . 0.0 OUTLIER -54.85 -37.5 66.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.3 -179.736 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 100' ' ' CYS . . . . . 0.452 ' CB ' ' CD2' ' A' ' 96' ' ' HIS . 35.3 m -90.92 14.93 12.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.388 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.403 ' HA ' ' HB2' ' A' ' 105' ' ' GLU . . . -68.19 -25.92 65.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.799 0.333 . . . . 0.0 111.404 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.423 ' CE2' ' O ' ' A' ' 99' ' ' GLN . 13.0 p90 -68.23 -10.77 56.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.586 -179.699 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.913 ' CZ ' ' HB2' ' A' ' 90' ' ' ALA . 1.0 OUTLIER -94.58 -69.23 0.76 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.701 0.286 . . . . 0.0 111.233 -179.756 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 76.2 m -126.97 79.48 1.88 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.116 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.403 ' HB2' ' HA ' ' A' ' 101' ' ' ALA . 3.2 mt-10 -166.27 -173.41 2.55 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.886 0.374 . . . . 0.0 111.098 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 7.8 p30 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.219 -179.908 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 27.5 mttt . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.784 0.326 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.484 ' HE2' HD11 ' A' ' 92' ' ' ILE . 36.7 p90 -118.64 169.64 9.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.763 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -117.19 130.88 56.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.857 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.69 ' HB2' HD13 ' A' ' 87' ' ' ILE . 38.3 t0 -104.92 121.07 42.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.645 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 56.2 p-80 -69.13 -49.14 59.69 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.682 -179.39 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -54.96 -23.07 17.32 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.661 0.267 . . . . 0.0 111.225 -179.792 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 24.1 mt -102.22 -25.12 13.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.965 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 69.43 15.8 8.31 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.005 -179.731 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -124.83 175.77 7.05 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.716 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 7.9 m -103.65 98.52 8.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.457 179.695 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.69 HD13 ' HB2' ' A' ' 80' ' ' ASP . 3.4 mp -89.07 123.96 41.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.31 -179.521 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.5 p -77.9 168.73 19.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.825 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 14.7 m -93.53 -43.36 8.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.91 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.858 ' HB2' ' CE2' ' A' ' 103' ' ' PHE . . . -64.84 -29.49 70.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.366 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 41.9 t -72.4 -16.52 61.84 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.507 -179.693 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.484 HD11 ' HE2' ' A' ' 78' ' ' PHE . 10.5 pt -118.4 25.37 4.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 N-CA-C 111.666 0.247 . . . . 0.0 111.666 -179.701 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.6 m -57.5 116.8 3.59 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.973 0.416 . . . . 0.0 111.02 179.635 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 122.72 -47.99 0.98 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.096 -179.642 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -130.55 65.1 1.54 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.025 0.441 . . . . 0.0 110.444 179.609 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' HIS . . . . . 0.457 ' HB2' ' HD2' ' A' ' 97' ' ' PRO . 1.9 p-80 -126.2 159.27 63.25 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.026 -179.554 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.457 ' HD2' ' HB2' ' A' ' 96' ' ' HIS . 20.5 Cg_endo -60.78 170.06 5.0 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.534 2.156 . . . . 0.0 112.245 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.2 -26.68 61.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.252 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.406 ' O ' ' CE2' ' A' ' 102' ' ' TYR . 1.3 tt0 -61.6 -35.83 78.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.444 -0.343 . . . . 0.0 111.182 -179.724 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' CYS . . . . . 0.437 ' HB2' ' CG ' ' A' ' 96' ' ' HIS . 81.2 m -94.53 24.42 4.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.171 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -78.22 -19.8 53.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.561 -0.291 . . . . 0.0 111.537 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.406 ' CE2' ' O ' ' A' ' 99' ' ' GLN . 28.1 p90 -76.3 -5.1 45.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.619 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.858 ' CE2' ' HB2' ' A' ' 90' ' ' ALA . 0.7 OUTLIER -100.65 -69.16 0.78 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.842 0.353 . . . . 0.0 111.05 -179.722 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 60.6 m -129.5 85.09 2.27 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.565 179.697 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -160.88 -172.84 3.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.024 0.44 . . . . 0.0 111.167 -179.82 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.34 -179.927 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.1 mttp . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.891 0.377 . . . . 0.0 110.727 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.427 ' CE1' ' HB ' ' A' ' 87' ' ' ILE . 34.1 p90 -132.48 172.21 12.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.073 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -117.12 121.05 40.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.721 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.702 ' HB2' HD13 ' A' ' 87' ' ' ILE . 43.9 t0 -93.42 120.01 33.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.622 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 8.1 p80 -66.96 -48.88 67.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.539 -179.381 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -57.11 -21.91 35.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.71 0.29 . . . . 0.0 111.31 -179.737 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.402 ' O ' ' HB2' ' A' ' 84' ' ' ARG . 32.1 mt -105.59 -23.29 12.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.089 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.402 ' HB2' ' O ' ' A' ' 83' ' ' LEU . 4.3 mmt180 66.7 16.73 10.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.957 -179.644 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -122.87 175.92 6.28 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.71 179.775 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 19.8 t -103.71 99.46 9.25 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.944 0.402 . . . . 0.0 110.57 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.702 HD13 ' HB2' ' A' ' 80' ' ' ASP . 3.1 mp -97.84 134.2 36.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.408 -179.343 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.2 m -91.62 168.81 11.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.571 179.689 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 23.7 m -93.46 -54.04 3.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.797 0.332 . . . . 0.0 110.904 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.875 ' HB2' ' CE2' ' A' ' 103' ' ' PHE . . . -55.09 -28.55 53.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.46 -179.762 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.34 -2.01 47.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.746 -179.689 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.424 ' CG1' ' HB3' ' A' ' 96' ' ' HIS . 6.1 pt -128.82 25.39 2.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 N-CA-C 111.79 0.292 . . . . 0.0 111.79 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.6 m -58.03 116.93 3.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.917 0.389 . . . . 0.0 110.893 179.627 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 118.71 -43.43 1.59 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.98 -0.629 . . . . 0.0 112.072 -179.608 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -131.41 65.15 1.57 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.976 0.417 . . . . 0.0 110.33 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' HIS . . . . . 0.509 ' HB2' ' HD2' ' A' ' 97' ' ' PRO . 1.9 p-80 -131.98 160.16 68.97 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.285 -179.408 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.509 ' HD2' ' HB2' ' A' ' 96' ' ' HIS . 24.1 Cg_endo -61.4 -177.03 0.19 Allowed 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.676 2.251 . . . . 0.0 112.428 179.8 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 8.8 ttpt -64.92 -40.49 95.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.403 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.427 ' O ' ' CE2' ' A' ' 102' ' ' TYR . 0.0 OUTLIER -54.0 -31.37 50.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.473 -179.504 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 100' ' ' CYS . . . . . 0.426 ' HB2' ' CG ' ' A' ' 96' ' ' HIS . 70.8 m -94.04 19.79 8.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.532 -0.303 . . . . 0.0 111.076 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.512 ' HB2' ' OE2' ' A' ' 105' ' ' GLU . . . -78.42 -26.12 46.25 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.789 0.328 . . . . 0.0 111.659 -179.816 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.427 ' CE2' ' O ' ' A' ' 99' ' ' GLN . 26.4 p90 -66.96 -12.44 59.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.542 -179.839 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.875 ' CE2' ' HB2' ' A' ' 90' ' ' ALA . 0.6 OUTLIER -94.48 -69.88 0.73 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.713 0.292 . . . . 0.0 111.014 -179.692 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 58.0 m -129.34 92.03 3.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.752 179.706 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.512 ' OE2' ' HB2' ' A' ' 101' ' ' ALA . 1.6 mt-10 -165.83 -172.83 2.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.936 0.398 . . . . 0.0 111.068 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.289 179.986 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.7 mmtm . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.84 0.352 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.533 ' CZ ' ' HB ' ' A' ' 87' ' ' ILE . 19.5 p90 -159.28 168.18 27.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.768 179.673 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -117.06 126.79 53.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.135 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.585 ' CB ' HD13 ' A' ' 87' ' ' ILE . 9.0 t0 -96.37 119.66 35.26 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.2 179.488 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.415 ' CG ' ' N ' ' A' ' 82' ' ' LEU . 39.8 p-80 -67.58 -49.14 64.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.956 -179.003 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.415 ' N ' ' CG ' ' A' ' 81' ' ' HIS . 0.5 OUTLIER -62.88 -16.02 57.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.611 0.244 . . . . 0.0 111.451 -179.58 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.414 ' HB2' ' HB3' ' A' ' 80' ' ' ASP . 45.8 mt -105.03 -24.87 12.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.774 0.321 . . . . 0.0 111.167 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 67.62 14.73 9.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.242 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -123.14 172.04 8.87 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.794 0.331 . . . . 0.0 110.776 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 37.5 t -103.61 97.55 7.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.386 179.521 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.633 HD12 ' N ' ' A' ' 87' ' ' ILE . 3.2 mp -84.64 148.83 4.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.241 -179.451 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.0 m -92.45 168.05 11.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.917 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 66.3 m -107.27 -48.17 3.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.084 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.866 ' HB2' ' CE2' ' A' ' 103' ' ' PHE . . . -57.38 -30.66 65.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.282 -179.785 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.12 -21.09 59.09 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.258 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 7.9 pt -115.3 24.0 5.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.621 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' CYS . . . . . 0.464 ' HA ' ' CE1' ' A' ' 96' ' ' HIS . 1.6 m -62.48 116.71 5.34 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.975 0.417 . . . . 0.0 110.878 179.699 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 114.4 -28.28 8.36 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.94 -0.648 . . . . 0.0 112.328 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 20.9 mm-40 -140.01 49.04 1.77 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.975 0.417 . . . . 0.0 110.651 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' HIS . . . . . 0.469 ' HB2' ' HD2' ' A' ' 97' ' ' PRO . 1.9 p-80 -121.14 159.21 50.49 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.844 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.469 ' HD2' ' HB2' ' A' ' 96' ' ' HIS . 31.3 Cg_endo -63.95 179.59 1.04 Allowed 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.477 2.118 . . . . 0.0 112.107 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 5.6 ttpt -62.93 -24.26 67.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.283 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -60.99 -39.61 90.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.142 -179.785 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 64.0 m -94.3 27.36 2.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.167 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -77.11 -31.23 55.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.823 0.344 . . . . 0.0 111.135 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 29.4 p90 -60.9 -20.05 61.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.204 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.866 ' CE2' ' HB2' ' A' ' 90' ' ' ALA . 0.3 OUTLIER -86.71 -69.9 0.64 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.134 -179.633 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 24.8 m -132.53 95.46 3.62 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.921 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -166.07 -175.64 3.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.928 0.394 . . . . 0.0 111.052 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 1.2 p30 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.177 -179.967 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.79 0.328 . . . . 0.0 110.827 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.5 ' CE1' ' HB ' ' A' ' 87' ' ' ILE . 4.6 p90 -117.35 164.45 14.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.963 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -112.01 130.72 55.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.998 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.67 ' HB2' HD13 ' A' ' 87' ' ' ILE . 37.3 t0 -106.49 112.3 25.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.579 179.787 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.539 ' CE1' HD23 ' A' ' 82' ' ' LEU . 54.1 p-80 -61.8 -48.82 78.9 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.804 -179.286 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.539 HD23 ' CE1' ' A' ' 81' ' ' HIS . 0.4 OUTLIER -54.89 -23.3 18.03 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.704 0.287 . . . . 0.0 111.237 -179.784 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 36.4 mt -102.78 -24.03 13.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.078 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 10.3 mtt180 67.6 14.52 9.57 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.18 -179.508 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -123.42 175.81 6.52 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.645 179.738 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 1.7 m -103.72 103.93 13.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.312 179.737 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.682 HD12 ' N ' ' A' ' 87' ' ' ILE . 2.9 mp -97.72 156.0 3.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.484 -179.281 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.448 ' N ' HG22 ' A' ' 87' ' ' ILE . 3.6 m -93.18 163.19 13.72 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.69 179.801 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 56.0 m -106.94 -33.47 7.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.82 0.343 . . . . 0.0 111.039 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.889 ' HB2' ' CE2' ' A' ' 103' ' ' PHE . . . -71.82 -23.66 61.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.359 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.24 -19.9 35.54 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.364 -179.672 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.535 HD12 ' CB ' ' A' ' 96' ' ' HIS . 14.6 pt -113.8 25.22 4.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 111.699 0.259 . . . . 0.0 111.699 -179.671 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' CYS . . . . . 0.458 ' HA ' ' CE1' ' A' ' 96' ' ' HIS . 1.6 m -64.35 116.71 6.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.951 0.405 . . . . 0.0 110.878 179.714 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 118.64 -28.59 6.69 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.271 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.51 56.9 1.23 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.983 0.42 . . . . 0.0 110.473 179.801 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' HIS . . . . . 0.535 ' CB ' HD12 ' A' ' 92' ' ' ILE . 1.8 p-80 -124.29 159.71 55.98 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.052 -179.688 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.453 ' HD2' ' HB2' ' A' ' 96' ' ' HIS . 34.5 Cg_endo -64.79 -177.0 0.49 Allowed 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.483 2.122 . . . . 0.0 112.154 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 6.0 ttpt -63.61 -29.46 70.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.107 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.6 -37.93 71.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.173 -179.775 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' CYS . . . . . 0.47 ' SG ' HD11 ' A' ' 92' ' ' ILE . 87.0 m -98.64 26.99 5.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.171 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -78.7 -21.95 47.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.352 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 29.4 p90 -72.11 -24.39 61.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.216 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.889 ' CE2' ' HB2' ' A' ' 90' ' ' ALA . 0.3 OUTLIER -80.1 -70.25 0.53 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.048 -179.624 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 18.6 m -132.69 96.43 3.81 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.77 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -166.15 -172.7 2.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.955 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.168 179.997 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.4 tttt . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.769 0.319 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.471 ' CE1' ' HB ' ' A' ' 87' ' ' ILE . 2.7 p90 -126.95 169.19 13.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.947 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -109.98 133.93 52.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.825 179.672 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.545 ' CB ' HD13 ' A' ' 87' ' ' ILE . 5.7 t0 -106.87 141.7 37.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.387 179.65 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 38.8 p-80 -82.51 -52.16 7.11 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.655 -179.321 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.449 HD23 ' H ' ' A' ' 82' ' ' LEU . 0.6 OUTLIER -60.84 -17.84 52.25 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.619 0.247 . . . . 0.0 111.213 -179.804 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.407 ' HB2' ' HB3' ' A' ' 80' ' ' ASP . 45.2 mt -101.51 -27.78 12.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.862 0.363 . . . . 0.0 110.858 179.668 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? 65.47 18.42 11.29 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.959 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -131.22 -179.81 5.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.735 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 31.8 t -103.93 109.71 21.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.49 179.732 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.643 HD12 ' N ' ' A' ' 87' ' ' ILE . 3.4 mp -106.66 160.65 6.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.293 -179.44 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.511 ' N ' HG22 ' A' ' 87' ' ' ILE . 0.9 OUTLIER -94.8 168.15 10.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.392 179.599 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 68.6 m -104.8 -27.79 11.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.135 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.759 ' HB2' ' CE2' ' A' ' 103' ' ' PHE . . . -74.25 -23.03 59.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.352 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -86.44 -22.47 26.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.422 -179.766 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.74 HD11 ' SG ' ' A' ' 100' ' ' CYS . 18.7 pt -108.06 23.61 3.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.574 -179.744 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' CYS . . . . . 0.493 ' HA ' ' CE1' ' A' ' 96' ' ' HIS . 1.6 m -66.46 116.82 7.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.963 0.411 . . . . 0.0 111.067 179.775 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 124.81 -36.78 2.76 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.921 -0.657 . . . . 0.0 112.331 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -143.08 58.4 1.41 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.926 0.393 . . . . 0.0 110.662 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' HIS . . . . . 0.493 ' CE1' ' HA ' ' A' ' 93' ' ' CYS . 1.6 p-80 -120.59 160.31 44.69 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.008 -179.748 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.469 ' HD2' ' HB2' ' A' ' 96' ' ' HIS . 40.8 Cg_endo -67.77 176.29 5.33 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.394 2.062 . . . . 0.0 112.076 179.751 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.03 -27.95 64.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.191 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.405 ' HG2' ' CD2' ' A' ' 78' ' ' PHE . 0.8 OUTLIER -56.39 -42.32 77.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.172 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 100' ' ' CYS . . . . . 0.74 ' SG ' HD11 ' A' ' 92' ' ' ILE . 55.0 m -95.5 24.62 5.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.936 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.463 ' HA ' ' HB2' ' A' ' 105' ' ' GLU . . . -76.26 -17.58 59.41 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.366 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 25.8 p90 -77.63 -3.35 40.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.499 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.759 ' CE2' ' HB2' ' A' ' 90' ' ' ALA . 0.3 OUTLIER -103.35 -69.26 0.8 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.78 0.324 . . . . 0.0 110.804 -179.637 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 13.1 m -134.31 84.94 2.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.547 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.463 ' HB2' ' HA ' ' A' ' 101' ' ' ALA . 0.0 OUTLIER -146.11 -173.37 4.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.022 0.439 . . . . 0.0 111.2 -179.727 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 106' ' ' ASN . 3.3 p-10 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.946 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.2 mptt . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.739 0.304 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.553 ' CE2' ' NE2' ' A' ' 99' ' ' GLN . 26.9 p90 -144.42 167.06 23.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.07 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -117.43 125.9 51.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.485 179.542 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.609 ' CB ' HD13 ' A' ' 87' ' ' ILE . 65.3 t0 -95.45 126.14 40.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.76 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 56.7 p-80 -71.44 -49.04 45.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.624 -179.403 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.42 -20.42 44.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.201 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 47.6 mt -104.93 -25.03 12.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.891 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 4.4 tmm_? 65.41 16.67 10.64 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.101 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -120.15 175.6 5.86 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.809 0.338 . . . . 0.0 110.758 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 5.3 p -103.87 94.17 5.27 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.585 179.706 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.609 HD13 ' CB ' ' A' ' 80' ' ' ASP . 3.8 mp -84.46 148.46 4.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.085 -179.734 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.54 168.17 9.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.805 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 71.9 m -100.81 -45.08 5.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.07 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.449 ' HB2' ' CZ ' ' A' ' 103' ' ' PHE . . . -53.11 -26.06 15.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.435 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.21 -24.25 34.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.292 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 7.3 pt -113.0 22.26 5.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.563 -0.289 . . . . 0.0 111.659 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' CYS . . . . . 0.442 ' HA ' ' CE1' ' A' ' 96' ' ' HIS . 1.6 m -60.51 116.93 4.7 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.934 0.397 . . . . 0.0 111.065 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 118.12 -34.22 4.54 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.909 -0.663 . . . . 0.0 112.256 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -139.03 57.58 1.66 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.886 0.374 . . . . 0.0 110.713 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' HIS . . . . . 0.442 ' CE1' ' HA ' ' A' ' 93' ' ' CYS . 2.0 p-80 -126.94 155.69 75.27 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.144 -179.786 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -63.52 175.52 2.75 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.646 2.231 . . . . 0.0 112.127 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.15 -25.0 60.94 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.978 179.795 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.553 ' NE2' ' CE2' ' A' ' 78' ' ' PHE . 3.7 pt20 -60.49 -17.99 48.76 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.022 179.754 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 53.7 m -122.01 16.44 10.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.902 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.449 ' HA ' ' HB2' ' A' ' 105' ' ' GLU . . . -69.85 -20.55 63.41 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.705 -179.715 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.412 ' CE2' ' O ' ' A' ' 99' ' ' GLN . 13.6 p90 -76.84 -13.45 60.0 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 111.812 0.301 . . . . 0.0 111.812 -179.661 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.449 ' CZ ' ' HB2' ' A' ' 90' ' ' ALA . 0.7 OUTLIER -89.52 -68.63 0.76 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.763 0.316 . . . . 0.0 110.931 -179.734 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 57.0 m -128.95 81.27 2.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.754 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.449 ' HB2' ' HA ' ' A' ' 101' ' ' ALA . 0.0 OUTLIER -166.19 -173.0 2.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.948 0.404 . . . . 0.0 111.251 -179.931 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.259 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.0 mttm . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.916 0.389 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.615 ' HE1' HD11 ' A' ' 92' ' ' ILE . 50.5 p90 -113.47 177.45 4.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.863 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -117.47 125.63 51.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.927 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.566 ' HB2' HD13 ' A' ' 87' ' ' ILE . 43.6 t0 -111.95 111.76 22.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.597 179.649 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.405 ' CG ' ' N ' ' A' ' 82' ' ' LEU . 36.7 p-80 -53.46 -49.11 68.12 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.961 -179.255 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.405 ' N ' ' CG ' ' A' ' 81' ' ' HIS . 1.9 pp -56.45 -21.83 28.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.667 0.27 . . . . 0.0 111.324 -179.686 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.525 HD12 ' CD1' ' A' ' 87' ' ' ILE . 23.8 mt -103.02 -25.4 13.45 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.929 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 66.16 18.53 10.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.179 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -134.03 178.6 6.83 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.771 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 9.0 p -103.43 98.01 7.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.24 179.507 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.566 HD13 ' HB2' ' A' ' 80' ' ' ASP . 4.6 mp -83.73 146.74 6.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.817 -0.628 . . . . 0.0 111.371 -179.252 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -85.84 168.14 14.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.024 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 62.5 m -102.36 -44.86 5.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.934 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.89 ' HB2' ' CZ ' ' A' ' 103' ' ' PHE . . . -57.63 -34.91 69.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.26 -179.776 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 77.5 p -70.86 -17.24 62.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.486 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.615 HD11 ' HE1' ' A' ' 78' ' ' PHE . 6.3 pt -120.71 24.6 4.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 N-CA-C 111.688 0.255 . . . . 0.0 111.688 -179.76 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' CYS . . . . . 0.453 ' HA ' ' CE1' ' A' ' 96' ' ' HIS . 1.6 m -61.33 116.72 4.85 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.955 0.407 . . . . 0.0 110.875 179.564 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 112.28 -28.07 9.51 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.353 -179.66 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -137.68 46.94 2.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.929 0.395 . . . . 0.0 110.697 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' HIS . . . . . 0.518 ' CB ' HD12 ' A' ' 92' ' ' ILE . 2.0 p-80 -120.9 159.81 47.43 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.96 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.465 ' HD2' ' HB2' ' A' ' 96' ' ' HIS . 29.1 Cg_endo -63.29 171.61 6.29 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.436 2.091 . . . . 0.0 111.998 179.773 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.6 ttpt -57.32 -25.05 58.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.331 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -60.81 -35.33 76.22 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.309 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' CYS . . . . . 0.455 ' HB2' ' CG ' ' A' ' 96' ' ' HIS . 63.5 m -94.16 26.69 3.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.031 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.412 ' HA ' ' HB2' ' A' ' 105' ' ' GLU . . . -75.85 -30.02 58.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.925 0.393 . . . . 0.0 111.305 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 30.9 p90 -63.85 -16.96 62.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.278 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.89 ' CZ ' ' HB2' ' A' ' 90' ' ' ALA . 0.4 OUTLIER -90.04 -68.53 0.78 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.772 0.32 . . . . 0.0 110.881 -179.816 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 35.2 m -133.77 95.69 3.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.81 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.412 ' HB2' ' HA ' ' A' ' 101' ' ' ALA . 2.3 mm-40 -165.52 -172.9 2.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.124 0.487 . . . . 0.0 111.38 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 5.1 p30 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.396 -179.861 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 12.2 mmtm . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.709 0.29 . . . . 0.0 110.739 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.454 ' CE1' ' HB ' ' A' ' 87' ' ' ILE . 1.9 p90 -151.08 174.91 12.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.898 0.38 . . . . 0.0 111.085 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -117.21 137.84 52.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.932 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.563 ' CB ' HD13 ' A' ' 87' ' ' ILE . 55.4 t0 -112.7 130.77 55.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.608 179.668 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 69.0 t60 -68.65 -59.9 2.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.448 -179.346 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -48.13 -28.47 2.95 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.746 0.308 . . . . 0.0 111.202 -179.757 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.4 ' HB2' ' HB3' ' A' ' 80' ' ' ASP . 45.0 mt -96.42 -27.11 15.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.794 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 54.2 mtt180 64.4 17.76 10.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.196 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -124.82 -178.97 4.33 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.878 0.37 . . . . 0.0 111.028 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 2.0 p -104.66 100.82 10.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.657 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.639 HD12 ' N ' ' A' ' 87' ' ' ILE . 3.4 mp -94.41 159.36 2.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.249 -179.58 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.509 ' N ' HG22 ' A' ' 87' ' ' ILE . 0.8 OUTLIER -94.97 160.67 14.47 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.086 -179.842 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 89' ' ' CYS . . . . . 0.475 ' HA ' HD11 ' A' ' 92' ' ' ILE . 1.8 m -110.62 2.1 18.42 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.386 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.45 ' CB ' ' CZ ' ' A' ' 103' ' ' PHE . . . -99.07 -31.78 11.6 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.81 0.338 . . . . 0.0 111.23 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 65.6 p -85.66 -13.95 46.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.308 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.475 HD11 ' HA ' ' A' ' 89' ' ' CYS . 18.5 pt -95.88 26.26 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.626 0.251 . . . . 0.0 111.498 -179.799 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.7 m -60.83 131.71 51.55 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.908 0.385 . . . . 0.0 110.635 179.709 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 97.16 -25.68 25.96 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.339 -179.636 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.3 mm100 -137.93 40.38 2.34 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.734 0.302 . . . . 0.0 111.174 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' HIS . . . . . 0.464 ' CE1' ' HB2' ' A' ' 104' ' ' CYS . 23.3 p-80 -100.75 157.72 33.19 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.815 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -65.27 176.85 2.94 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.521 2.147 . . . . 0.0 112.304 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 3.9 ttpt -69.01 -32.01 71.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.023 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -58.54 -41.97 86.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.017 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 7.0 m -100.79 27.75 5.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.107 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.425 ' O ' ' HB2' ' A' ' 105' ' ' GLU . . . -69.15 -15.77 63.49 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.292 179.715 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 16.4 p90 -77.04 -0.38 24.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.265 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.45 ' CZ ' ' CB ' ' A' ' 90' ' ' ALA . 1.5 t80 -93.43 -58.06 2.4 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.641 0.258 . . . . 0.0 111.531 -179.271 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' CYS . . . . . 0.464 ' HB2' ' CE1' ' A' ' 96' ' ' HIS . 13.0 m -139.25 38.09 2.09 Favored 'General case' 0 CA--C 1.53 0.176 0 N-CA-C 111.73 0.27 . . . . 0.0 111.73 -179.162 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.425 ' HB2' ' O ' ' A' ' 101' ' ' ALA . 1.8 tt0 -117.98 -172.14 2.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.717 0.294 . . . . 0.0 110.757 179.609 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 . . . . . 0 N--CA 1.464 0.235 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.646 -179.664 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 13.9 mttt . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.791 0.329 . . . . 0.0 110.74 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.438 ' CZ ' ' HB ' ' A' ' 87' ' ' ILE . 39.5 p90 -131.69 173.37 11.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.965 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -115.13 118.17 32.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.672 179.705 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.848 ' HB2' HD13 ' A' ' 87' ' ' ILE . 11.6 t0 -94.22 116.9 29.36 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.878 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 24.3 p80 -61.32 -49.27 77.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.202 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.401 HD21 ' OD1' ' A' ' 80' ' ' ASP . 0.5 OUTLIER -56.14 -22.11 26.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.445 -179.709 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.432 ' HB2' ' HB3' ' A' ' 80' ' ' ASP . 82.0 mt -104.26 -25.63 12.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.752 0.31 . . . . 0.0 111.267 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 4.3 ttm180 71.64 9.82 6.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.096 -179.612 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -123.23 -178.87 4.1 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.744 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 9.1 t -103.66 107.08 17.78 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.629 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.848 HD13 ' HB2' ' A' ' 80' ' ' ASP . 3.1 mp -105.93 152.87 7.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.401 -179.463 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -101.06 165.87 11.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.565 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 50.9 m -97.51 -40.09 8.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.869 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.841 ' HB2' ' CE2' ' A' ' 103' ' ' PHE . . . -62.87 -37.18 85.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.131 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.8 m -69.49 -11.56 60.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.636 -179.668 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.43 HD12 ' CB ' ' A' ' 96' ' ' HIS . 12.5 pt -125.21 24.02 3.39 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 N-CA-C 111.684 0.253 . . . . 0.0 111.684 -179.682 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' CYS . . . . . 0.45 ' HA ' ' CE1' ' A' ' 96' ' ' HIS . 1.5 m -63.01 117.84 7.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.052 0.453 . . . . 0.0 111.085 179.628 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 118.64 -37.59 3.16 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.171 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -138.27 58.23 1.68 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.983 0.42 . . . . 0.0 110.449 179.73 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' HIS . . . . . 0.45 ' CE1' ' HA ' ' A' ' 93' ' ' CYS . 1.6 p-80 -123.04 164.06 29.68 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.146 -179.478 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_exo -56.72 -178.01 0.07 OUTLIER 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.615 2.21 . . . . 0.0 112.115 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.407 ' HE2' ' N ' ' A' ' 99' ' ' GLN . 0.0 OUTLIER -74.6 -17.45 60.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.189 179.897 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.407 ' N ' ' HE2' ' A' ' 98' ' ' LYS . 3.4 pt20 -73.2 -30.56 63.61 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.047 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 68.6 m -94.01 24.08 4.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.996 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.443 ' HA ' ' HB2' ' A' ' 105' ' ' GLU . . . -76.56 -24.33 53.57 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.217 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.406 ' CE2' ' O ' ' A' ' 99' ' ' GLN . 19.9 p90 -69.22 -18.91 63.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.328 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.841 ' CE2' ' HB2' ' A' ' 90' ' ' ALA . 0.3 OUTLIER -88.01 -56.99 3.1 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.747 0.308 . . . . 0.0 110.769 -179.91 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 16.2 m -148.7 101.14 3.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.69 179.664 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.443 ' HB2' ' HA ' ' A' ' 101' ' ' ALA . 0.0 OUTLIER -164.22 -172.63 2.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.987 0.422 . . . . 0.0 111.165 179.909 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.304 -179.91 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 19.2 mttt . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.901 0.381 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.462 ' CE1' ' HB ' ' A' ' 87' ' ' ILE . 4.1 p90 -131.09 174.12 10.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.692 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -117.14 135.17 53.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.05 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.59 ' HB2' HD13 ' A' ' 87' ' ' ILE . 36.8 t0 -114.92 111.76 21.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.531 179.755 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.52 ' NE2' HD23 ' A' ' 82' ' ' LEU . 8.0 p80 -55.56 -50.68 69.39 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.88 -179.145 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.52 HD23 ' NE2' ' A' ' 81' ' ' HIS . 0.3 OUTLIER -54.46 -23.41 15.97 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.717 0.294 . . . . 0.0 111.333 -179.603 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 23.2 mt -98.92 -25.39 14.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.821 0.343 . . . . 0.0 110.948 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 66.74 17.48 10.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.1 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 58.9 m-20 -131.53 178.61 6.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.707 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 5.1 p -103.83 106.57 17.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.02 0.438 . . . . 0.0 110.47 179.554 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.647 HD12 ' N ' ' A' ' 87' ' ' ILE . 3.1 mp -98.58 146.35 8.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.286 -179.508 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.04 168.35 17.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.659 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 42.3 m -104.53 -41.2 5.78 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.996 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.712 ' HB2' ' CE2' ' A' ' 103' ' ' PHE . . . -65.61 -35.41 80.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.172 -179.817 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.42 -14.79 62.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.447 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.475 HD12 ' CB ' ' A' ' 96' ' ' HIS . 5.9 pt -119.63 21.59 5.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.7 -0.227 . . . . 0.0 111.562 -179.78 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' CYS . . . . . 0.473 ' HA ' ' CE1' ' A' ' 96' ' ' HIS . 1.5 m -60.46 116.69 4.5 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.021 0.439 . . . . 0.0 110.91 179.613 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 118.27 -26.62 7.71 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.218 -179.635 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 5.3 mm100 -148.12 55.71 1.05 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.964 0.412 . . . . 0.0 110.817 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' HIS . . . . . 0.475 ' CB ' HD12 ' A' ' 92' ' ' ILE . 2.0 p-80 -123.62 159.2 56.6 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.911 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.44 ' HD2' ' HB2' ' A' ' 96' ' ' HIS . 21.0 Cg_endo -60.94 170.41 4.77 Favored 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.547 2.164 . . . . 0.0 112.044 179.81 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 11.6 ttpt -56.03 -29.2 60.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.194 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -57.2 -36.68 71.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.167 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' CYS . . . . . 0.436 ' HB2' ' CG ' ' A' ' 96' ' ' HIS . 96.1 m -94.28 21.82 6.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.98 179.818 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.42 ' HA ' ' HB2' ' A' ' 105' ' ' GLU . . . -74.55 -22.08 59.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.481 -179.833 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 22.8 p90 -72.28 -10.0 59.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.41 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.712 ' CE2' ' HB2' ' A' ' 90' ' ' ALA . 0.3 OUTLIER -98.0 -68.99 0.78 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.76 0.314 . . . . 0.0 110.798 -179.771 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 17.5 m -134.64 92.61 2.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.654 179.621 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.42 ' HB2' ' HA ' ' A' ' 101' ' ' ALA . 1.1 mm-40 -154.56 -171.78 3.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.096 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 3.5 m120 . . . . . 0 N--CA 1.467 0.379 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.665 -179.716 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.406 ' HG3' ' CB ' ' A' ' 88' ' ' SER . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.809 0.337 . . . . 0.0 110.824 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.469 ' CZ ' ' HB ' ' A' ' 87' ' ' ILE . 39.0 p90 -112.87 170.81 7.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.766 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 13.6 t80 -117.17 135.09 54.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.106 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.665 ' HB2' HD13 ' A' ' 87' ' ' ILE . 34.9 t0 -113.85 99.69 7.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.549 179.766 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 55.4 t60 -49.94 -53.28 27.22 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.715 -179.568 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.59 -28.29 3.35 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.871 0.367 . . . . 0.0 110.98 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 38.0 mt -98.34 -24.18 15.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.821 179.663 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 69.52 12.47 8.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.117 -179.753 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -122.75 174.98 6.78 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.514 179.689 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 3.3 m -104.08 98.98 8.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.613 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.665 HD13 ' HB2' ' A' ' 80' ' ' ASP . 3.6 mp -90.63 149.52 4.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.183 -179.746 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.406 ' CB ' ' HG3' ' A' ' 77' ' ' LYS . 0.5 OUTLIER -109.07 168.64 9.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.001 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 76.9 m -93.29 -35.15 13.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.658 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.752 ' HB2' ' CE2' ' A' ' 103' ' ' PHE . . . -70.55 -30.68 67.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.4 m -69.7 -16.98 63.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.132 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.777 HD12 ' HB3' ' A' ' 96' ' ' HIS . 0.5 OUTLIER -108.21 -85.89 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.231 179.821 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 93' ' ' CYS . . . . . 0.433 ' H ' HG13 ' A' ' 92' ' ' ILE . 1.6 m 57.39 116.75 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.094 0.473 . . . . 0.0 111.654 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 110.62 -38.62 3.22 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.946 179.646 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 65.7 mm-40 -138.63 43.67 2.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.921 0.391 . . . . 0.0 111.0 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' HIS . . . . . 0.777 ' HB3' HD12 ' A' ' 92' ' ' ILE . 2.0 p-80 -104.96 160.89 24.44 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.0 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -60.01 172.86 2.08 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.49 2.126 . . . . 0.0 111.937 179.632 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.35 -20.59 64.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.169 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.413 ' O ' ' CE2' ' A' ' 102' ' ' TYR . 1.3 pt20 -67.39 -39.17 85.57 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.325 -179.773 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 59.0 m -87.87 13.6 10.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.463 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.45 ' HA ' ' HB2' ' A' ' 105' ' ' GLU . . . -64.94 -16.05 62.86 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.59 0.233 . . . . 0.0 111.616 -179.77 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.413 ' CE2' ' O ' ' A' ' 99' ' ' GLN . 10.5 p90 -80.41 -0.94 39.28 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.741 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.752 ' CE2' ' HB2' ' A' ' 90' ' ' ALA . 0.8 OUTLIER -103.95 -68.29 0.85 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.811 0.339 . . . . 0.0 110.846 -179.897 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 72.2 m -130.29 81.45 2.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.588 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.45 ' HB2' ' HA ' ' A' ' 101' ' ' ALA . 3.0 mt-10 -166.01 -172.24 2.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.948 0.404 . . . . 0.0 111.47 -179.748 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.466 0.36 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.379 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.9 mttm . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.884 0.373 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.493 ' HE2' HD11 ' A' ' 92' ' ' ILE . 33.6 p90 -163.52 171.12 16.31 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.832 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.409 ' HA ' ' HA ' ' A' ' 86' ' ' CYS . 6.7 t80 -115.29 133.29 56.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.914 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.66 ' CB ' HD13 ' A' ' 87' ' ' ILE . 57.5 t0 -109.27 130.33 55.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.758 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 54.5 p-80 -73.11 -49.78 26.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.601 -179.378 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.71 -21.67 42.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.209 -179.763 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 45.2 mt -104.75 -25.05 12.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.013 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 66.99 15.63 10.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.961 -179.812 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -124.32 176.85 6.18 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.863 0.363 . . . . 0.0 110.724 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' CYS . . . . . 0.409 ' HA ' ' HA ' ' A' ' 79' ' ' TYR . 2.7 t -103.92 91.91 4.18 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.377 179.644 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.66 HD13 ' CB ' ' A' ' 80' ' ' ASP . 3.9 mp -81.12 152.48 4.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.211 -179.59 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -99.32 168.24 10.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.084 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 95.9 m -94.31 -38.07 11.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.853 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.693 ' HB2' ' CZ ' ' A' ' 103' ' ' PHE . . . -57.01 -45.43 83.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.434 -179.68 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -63.31 -16.76 61.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.459 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.493 HD11 ' HE2' ' A' ' 78' ' ' PHE . 16.4 pt -121.34 24.48 4.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 N-CA-C 111.746 0.276 . . . . 0.0 111.746 -179.716 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' CYS . . . . . 0.461 ' HA ' ' CE1' ' A' ' 96' ' ' HIS . 1.6 m -63.37 120.07 10.9 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.94 0.4 . . . . 0.0 111.013 179.758 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 120.04 -41.19 2.01 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.386 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -137.93 62.01 1.58 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.971 0.415 . . . . 0.0 110.671 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' HIS . . . . . 0.461 ' CE1' ' HA ' ' A' ' 93' ' ' CYS . 1.7 p-80 -126.32 163.09 42.37 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.912 -179.811 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.408 ' HD2' ' HB2' ' A' ' 96' ' ' HIS . 53.4 Cg_exo -52.85 176.89 0.06 OUTLIER 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.579 2.186 . . . . 0.0 112.122 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 9.3 ttpt -70.28 -31.03 68.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.991 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.433 ' O ' ' CE2' ' A' ' 102' ' ' TYR . 0.6 OUTLIER -59.75 -31.9 70.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.062 -179.778 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 20.8 m -90.8 25.94 2.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.024 179.711 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.517 ' HA ' ' HB2' ' A' ' 105' ' ' GLU . . . -78.74 -30.54 45.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.908 0.385 . . . . 0.0 111.281 -179.768 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.433 ' CE2' ' O ' ' A' ' 99' ' ' GLN . 11.4 p90 -61.09 -18.09 56.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.359 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.693 ' CZ ' ' HB2' ' A' ' 90' ' ' ALA . 0.5 OUTLIER -89.85 -69.71 0.71 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.753 0.311 . . . . 0.0 111.032 -179.516 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 37.6 m -132.65 92.08 3.01 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.618 179.681 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.517 ' HB2' ' HA ' ' A' ' 101' ' ' ALA . 0.2 OUTLIER -166.47 -172.0 2.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.988 0.423 . . . . 0.0 111.281 -179.785 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.467 0.378 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.275 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 10.9 mttt . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.896 0.379 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.498 ' CE1' ' HB ' ' A' ' 87' ' ' ILE . 10.3 p90 -123.07 176.85 5.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -116.89 109.66 17.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.738 179.687 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.66 ' HB2' HD13 ' A' ' 87' ' ' ILE . 31.6 t0 -90.47 113.82 25.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.715 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 15.0 p80 -55.31 -48.78 73.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.704 -179.426 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.3 pp -57.63 -19.87 29.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.734 0.302 . . . . 0.0 111.406 -179.645 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.487 HD12 HG12 ' A' ' 87' ' ' ILE . 46.7 mt -104.72 -23.43 13.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.075 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 3.3 mpp_? 63.46 18.0 10.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 -179.562 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 52.8 m-20 -132.22 -179.33 5.36 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.746 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 13.6 p -103.85 107.19 17.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.988 0.423 . . . . 0.0 110.496 179.74 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.66 HD13 ' HB2' ' A' ' 80' ' ' ASP . 3.0 mp -101.47 153.49 4.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.355 -179.476 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -93.07 168.67 10.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.592 179.817 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 56.1 m -108.81 -29.59 8.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.073 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.881 ' HB2' ' CE2' ' A' ' 103' ' ' PHE . . . -82.33 -15.39 53.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.638 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 80.5 p -91.53 -21.59 20.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.678 -0.237 . . . . 0.0 111.563 -179.684 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.467 HD12 ' CB ' ' A' ' 96' ' ' HIS . 5.6 pt -111.09 24.43 3.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 111.649 0.24 . . . . 0.0 111.649 -179.621 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' CYS . . . . . 0.453 ' HA ' ' CE1' ' A' ' 96' ' ' HIS . 1.6 m -59.73 116.64 4.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.998 0.428 . . . . 0.0 110.868 179.689 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 120.22 -33.07 4.67 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.917 -0.659 . . . . 0.0 112.211 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -143.72 60.16 1.38 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.977 0.418 . . . . 0.0 110.618 179.777 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' HIS . . . . . 0.467 ' CB ' HD12 ' A' ' 92' ' ' ILE . 1.8 p-80 -125.62 159.68 59.59 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.013 -179.645 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.445 ' HD2' ' HB2' ' A' ' 96' ' ' HIS . 19.2 Cg_endo -58.61 176.58 0.4 Allowed 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.537 2.158 . . . . 0.0 112.178 179.749 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.52 -24.25 67.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.202 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -63.57 -36.0 82.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.776 0.322 . . . . 0.0 111.162 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 96.0 m -95.06 24.88 4.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.073 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -78.28 -27.34 47.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.798 0.333 . . . . 0.0 111.33 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 25.7 p90 -65.7 -14.94 62.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.386 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.881 ' CE2' ' HB2' ' A' ' 90' ' ' ALA . 0.5 OUTLIER -90.38 -69.92 0.7 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.639 0.257 . . . . 0.0 111.127 -179.692 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 34.9 m -129.86 87.94 2.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.935 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -166.34 -172.96 2.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.861 0.363 . . . . 0.0 111.04 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 7.4 p30 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.004 179.994 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.8 mtpt . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.742 0.306 . . . . 0.0 110.714 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.494 ' CE1' ' HB ' ' A' ' 87' ' ' ILE . 2.4 p90 -138.24 172.54 12.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.962 0.41 . . . . 0.0 111.03 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -113.6 122.31 46.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.772 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.701 ' HB2' HD13 ' A' ' 87' ' ' ILE . 24.9 t0 -100.81 106.59 18.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.753 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 23.0 p-80 -56.25 -46.2 79.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.366 -179.624 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.8 pp -56.22 -22.65 30.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.235 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 58.0 mt -104.27 -24.58 13.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.066 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.1 mtt-85 67.73 14.01 9.38 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.052 -179.704 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -125.64 -178.93 4.42 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.756 0.312 . . . . 0.0 110.724 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 28.9 p -103.69 112.7 25.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.014 0.435 . . . . 0.0 110.618 179.673 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.701 HD13 ' HB2' ' A' ' 80' ' ' ASP . 2.7 mp -110.32 158.69 10.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.385 -179.418 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.484 ' N ' HG22 ' A' ' 87' ' ' ILE . 0.6 OUTLIER -94.27 162.39 13.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.707 179.839 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 89' ' ' CYS . . . . . 0.462 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 77.8 m -94.06 -30.7 14.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.811 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.422 ' HB2' ' CZ ' ' A' ' 103' ' ' PHE . . . -58.06 -54.43 47.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.48 -179.857 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 69.9 m -57.08 -22.39 39.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.596 -179.571 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.444 HD12 ' CB ' ' A' ' 96' ' ' HIS . 25.1 pt -112.01 27.73 2.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 111.699 0.259 . . . . 0.0 111.699 -179.628 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.7 m -63.95 126.19 26.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.82 0.343 . . . . 0.0 110.705 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 101.11 -30.68 9.84 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.481 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -135.95 57.88 1.77 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.861 0.362 . . . . 0.0 110.982 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' HIS . . . . . 0.444 ' CB ' HD12 ' A' ' 92' ' ' ILE . 27.5 p-80 -123.29 156.75 63.06 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.885 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -64.3 175.31 3.42 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.61 2.206 . . . . 0.0 112.405 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 4.5 ttpt -59.86 -29.85 68.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.026 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.414 ' O ' ' CE2' ' A' ' 102' ' ' TYR . 5.8 tp-100 -54.97 -39.9 69.46 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.959 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 52.0 m -91.6 25.97 2.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.854 179.707 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.541 ' HA ' ' HB2' ' A' ' 105' ' ' GLU . . . -69.5 -14.93 63.13 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.479 -179.858 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.414 ' CE2' ' O ' ' A' ' 99' ' ' GLN . 35.2 p90 -91.16 -0.63 57.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.873 -179.45 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.462 ' CD2' ' HB2' ' A' ' 89' ' ' CYS . 2.9 t80 -102.73 -72.49 0.69 Allowed 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 111.764 0.283 . . . . 0.0 111.764 -179.099 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 14.2 m -122.63 51.68 1.38 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.85 0.357 . . . . 0.0 111.071 -179.427 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.541 ' HB2' ' HA ' ' A' ' 101' ' ' ALA . 0.6 OUTLIER -140.8 -171.83 3.33 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.021 -179.775 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.47 ' ND2' ' O ' ' A' ' 106' ' ' ASN . 3.5 p-10 . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.254 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 5.3 mptt . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.814 0.34 . . . . 0.0 110.838 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.512 ' HE2' HD11 ' A' ' 92' ' ' ILE . 32.6 p90 -123.23 169.97 10.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.927 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -117.24 124.11 48.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.032 179.688 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.739 ' HB2' HD13 ' A' ' 87' ' ' ILE . 27.5 t0 -97.49 102.14 13.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.715 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 49.6 p-80 -56.29 -47.72 78.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.443 -179.475 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.2 pp -54.46 -23.26 15.4 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.229 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 49.5 mt -102.64 -24.34 13.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.062 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 72.1 10.49 6.04 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.087 -179.6 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -121.91 176.1 5.95 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.687 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 57.1 m -103.83 105.85 16.19 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.481 179.543 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.739 HD13 ' HB2' ' A' ' 80' ' ' ASP . 2.7 mp -99.22 146.79 7.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.223 -179.449 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.21 168.81 10.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.974 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 57.7 m -93.32 -30.49 15.11 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.988 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.424 ' HB2' ' HE2' ' A' ' 103' ' ' PHE . . . -69.16 -37.37 78.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.471 -179.665 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.71 -12.01 61.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.613 -179.661 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.512 HD11 ' HE2' ' A' ' 78' ' ' PHE . 9.5 pt -126.31 26.07 2.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.68 0.276 . . . . 0.0 111.614 -179.702 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.7 m -58.41 116.86 3.9 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.788 0.328 . . . . 0.0 110.865 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 115.71 -47.18 1.06 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.408 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 -124.2 64.07 1.08 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.902 0.382 . . . . 0.0 110.74 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' HIS . . . . . 0.485 ' CG ' ' HB2' ' A' ' 100' ' ' CYS . 1.9 p-80 -132.41 163.88 47.39 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.192 -179.724 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -58.78 -176.85 0.1 OUTLIER 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.698 2.266 . . . . 0.0 112.439 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.68 -31.55 70.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.045 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -58.98 -25.44 63.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.06 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' CYS . . . . . 0.485 ' HB2' ' CG ' ' A' ' 96' ' ' HIS . 92.4 m -106.18 0.67 25.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.356 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.405 ' HA ' ' HG3' ' A' ' 105' ' ' GLU . . . -52.65 -67.2 0.27 Allowed 'General case' 0 C--O 1.231 0.11 0 CA-C-O 120.921 0.391 . . . . 0.0 111.529 -179.675 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.434 ' HA ' ' HB2' ' A' ' 106' ' ' ASN . 27.8 p90 -48.48 -24.31 1.24 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.796 -179.756 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.424 ' HE2' ' HB2' ' A' ' 90' ' ' ALA . 4.0 t80 -58.27 -61.91 2.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.914 -179.242 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 2.1 m -122.02 -39.73 2.58 Favored 'General case' 0 N--CA 1.463 0.18 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 -178.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.405 ' HG3' ' HA ' ' A' ' 101' ' ' ALA . 1.9 pt-20 -105.62 106.52 17.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.136 0.493 . . . . 0.0 111.529 -179.346 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.434 ' HB2' ' HA ' ' A' ' 102' ' ' TYR . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.874 179.782 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 88' ' ' SER . 12.8 mttt . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.821 0.343 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.467 ' CE1' ' HB ' ' A' ' 87' ' ' ILE . 1.4 p90 -140.47 173.58 11.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.008 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -117.25 123.18 45.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.951 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.553 ' HB2' HD13 ' A' ' 87' ' ' ILE . 47.2 t0 -99.39 112.01 24.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.73 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 10.9 p80 -57.79 -53.67 55.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.557 -179.556 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.9 pp -48.94 -27.47 3.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.791 0.329 . . . . 0.0 111.209 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 21.7 mt -96.37 -24.27 16.23 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.838 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 67.52 16.65 9.96 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 -179.713 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -130.89 176.79 7.93 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.556 179.782 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 4.9 m -103.73 117.89 35.43 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.955 0.407 . . . . 0.0 110.406 179.579 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.553 HD13 ' HB2' ' A' ' 80' ' ' ASP . 3.6 mp -113.63 159.93 13.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.366 -179.393 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.486 ' N ' HG22 ' A' ' 87' ' ' ILE . 0.3 OUTLIER -94.54 163.15 13.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.979 -179.914 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 89' ' ' CYS . . . . . 0.406 ' HA ' ' CG1' ' A' ' 92' ' ' ILE . 64.2 m -93.61 -46.2 7.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.826 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.732 ' HB2' ' CE2' ' A' ' 103' ' ' PHE . . . -56.13 -25.51 46.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.323 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 20.6 t -88.86 5.65 42.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.535 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.674 HD11 ' SG ' ' A' ' 100' ' ' CYS . 13.3 pt -135.88 21.91 0.95 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.151 0 N-CA-C 111.647 0.24 . . . . 0.0 111.647 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.7 m -60.05 116.39 4.13 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.911 0.386 . . . . 0.0 110.625 179.701 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 116.76 -37.99 3.17 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 121.015 -0.612 . . . . 0.0 112.054 -179.484 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -132.36 62.36 1.65 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.866 0.365 . . . . 0.0 110.618 179.788 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' HIS . . . . . 0.466 ' HB2' ' HD2' ' A' ' 97' ' ' PRO . 9.3 p-80 -132.06 159.55 71.63 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.197 -179.635 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.466 ' HD2' ' HB2' ' A' ' 96' ' ' HIS . 56.7 Cg_endo -71.22 169.53 20.45 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.481 2.12 . . . . 0.0 112.146 179.727 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 6.8 ttpt -50.17 -27.33 5.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.461 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.11 -40.75 81.98 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.126 -179.73 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' CYS . . . . . 0.674 ' SG ' HD11 ' A' ' 92' ' ' ILE . 92.1 m -93.93 25.02 3.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.864 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.65 -16.87 59.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.59 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 23.7 p90 -79.42 -1.39 37.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.516 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.732 ' CE2' ' HB2' ' A' ' 90' ' ' ALA . 0.5 OUTLIER -104.94 -68.81 0.84 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.785 0.326 . . . . 0.0 110.84 -179.692 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 55.6 m -132.26 85.78 2.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.536 179.676 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -150.28 -172.8 4.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.006 0.432 . . . . 0.0 111.171 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.297 -179.782 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 12.3 mttm . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.741 0.305 . . . . 0.0 110.787 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.497 ' CZ ' ' HB ' ' A' ' 87' ' ' ILE . 34.7 p90 -159.16 168.18 27.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.945 0.402 . . . . 0.0 111.201 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -117.59 129.73 55.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.699 179.729 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.601 ' HB2' HD13 ' A' ' 87' ' ' ILE . 39.6 t0 -108.09 114.67 28.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.717 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 28.2 p-80 -58.65 -48.36 81.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.409 -179.5 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.408 HD12 HD23 ' A' ' 83' ' ' LEU . 2.4 pp -55.79 -23.45 30.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.775 0.321 . . . . 0.0 111.134 -179.828 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.483 HD12 HG12 ' A' ' 87' ' ' ILE . 33.4 mt -99.96 -24.01 14.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.026 179.794 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 66.85 15.4 10.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.08 -179.654 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -131.74 178.25 6.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.579 179.722 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 47.8 t -103.59 103.87 13.86 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.979 0.418 . . . . 0.0 110.276 179.66 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.627 HD12 ' N ' ' A' ' 87' ' ' ILE . 3.4 mp -93.33 126.69 45.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.421 -179.345 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.401 ' O ' HG12 ' A' ' 92' ' ' ILE . 0.5 OUTLIER -85.43 168.47 14.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.772 179.844 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 68.9 m -94.71 -40.91 9.54 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.947 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.946 ' HB2' ' CZ ' ' A' ' 103' ' ' PHE . . . -68.32 -32.52 72.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.508 -179.604 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 67.0 m -80.15 -5.56 56.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.742 -179.619 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.552 HD11 ' SG ' ' A' ' 100' ' ' CYS . 45.5 pt -120.62 28.22 3.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 111.68 0.252 . . . . 0.0 111.68 -179.675 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 2.9 m -51.53 154.36 1.91 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.822 0.344 . . . . 0.0 110.43 179.666 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 76.13 -57.18 3.2 Favored Glycine 0 CA--C 1.519 0.328 0 C-N-CA 120.734 -0.746 . . . . 0.0 113.225 179.588 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -113.23 78.12 1.11 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.88 0.371 . . . . 0.0 111.219 -179.477 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' HIS . . . . . 0.496 ' CE1' ' HB2' ' A' ' 104' ' ' CYS . 9.2 p-80 -132.64 159.7 71.39 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.042 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -72.28 -177.44 2.69 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.386 2.057 . . . . 0.0 111.984 179.549 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 19.8 ttpt -66.17 -26.73 67.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.054 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.442 ' O ' ' CE2' ' A' ' 102' ' ' TYR . 0.8 OUTLIER -59.9 -54.03 50.88 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.06 -179.784 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 100' ' ' CYS . . . . . 0.552 ' SG ' HD11 ' A' ' 92' ' ' ILE . 89.0 m -77.75 4.08 12.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.597 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.503 ' HA ' ' HB2' ' A' ' 105' ' ' GLU . . . -50.78 -23.71 2.93 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.871 0.367 . . . . 0.0 111.584 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.442 ' CE2' ' O ' ' A' ' 99' ' ' GLN . 10.1 p90 -82.28 -0.53 45.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.861 -179.59 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.946 ' CZ ' ' HB2' ' A' ' 90' ' ' ALA . 1.5 t80 -101.47 -72.62 0.68 Allowed 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -179.179 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' CYS . . . . . 0.496 ' HB2' ' CE1' ' A' ' 96' ' ' HIS . 1.0 OUTLIER -115.79 43.73 2.05 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.559 0.219 . . . . 0.0 111.146 -179.061 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.503 ' HB2' ' HA ' ' A' ' 101' ' ' ALA . 2.9 tt0 -128.5 -171.84 2.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.046 0.451 . . . . 0.0 111.774 -179.465 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 . . . . . 0 N--CA 1.465 0.325 0 CA-C-N 115.383 -0.826 . . . . 0.0 112.164 -179.539 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.654 0.264 . . . . 0.0 110.796 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.558 ' CD1' ' NE2' ' A' ' 99' ' ' GLN . 26.1 p90 -141.24 165.27 27.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.939 0.4 . . . . 0.0 111.188 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -117.5 115.45 25.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.65 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.76 ' HB2' HD13 ' A' ' 87' ' ' ILE . 35.4 t0 -84.04 118.6 24.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.974 0.416 . . . . 0.0 110.635 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 9.1 p80 -63.22 -50.19 71.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.76 -179.294 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.76 -18.81 46.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.812 -179.278 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.467 ' HB2' ' HB3' ' A' ' 80' ' ' ASP . 53.1 mt -101.99 -24.24 14.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.609 0.242 . . . . 0.0 111.38 -179.839 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 65.14 16.89 10.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.743 -179.345 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -126.17 -178.85 4.46 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.583 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 2.6 p -106.04 111.85 24.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.959 0.409 . . . . 0.0 110.73 179.695 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.76 HD13 ' HB2' ' A' ' 80' ' ' ASP . 3.0 mp -112.46 146.88 16.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.151 -179.769 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.2 m -100.19 165.61 11.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.853 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 97.6 m -93.98 -46.78 7.0 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.521 ' HB2' ' CZ ' ' A' ' 103' ' ' PHE . . . -52.7 -32.58 43.41 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.403 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 70.4 m -78.68 -4.24 48.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.406 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 10.9 pt -135.95 21.41 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.748 -0.206 . . . . 0.0 111.552 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' CYS . . . . . 0.477 ' HA ' ' CE1' ' A' ' 96' ' ' HIS . 1.5 m -61.49 117.07 5.24 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.926 0.393 . . . . 0.0 111.142 179.821 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 120.0 -34.97 3.97 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.302 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -140.6 58.69 1.56 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.064 0.459 . . . . 0.0 110.594 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' HIS . . . . . 0.477 ' CE1' ' HA ' ' A' ' 93' ' ' CYS . 1.9 p-80 -126.92 164.07 37.43 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.006 -179.664 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -58.79 168.12 4.63 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.484 2.123 . . . . 0.0 112.091 179.703 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.69 -28.03 65.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.113 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.558 ' NE2' ' CD1' ' A' ' 78' ' ' PHE . 8.2 pt20 -59.28 -30.88 68.63 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.158 -179.778 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' CYS . . . . . 0.408 ' SG ' ' CE2' ' A' ' 78' ' ' PHE . 21.8 m -93.35 25.91 3.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.984 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.492 ' HA ' ' HB2' ' A' ' 105' ' ' GLU . . . -76.38 -32.55 58.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.543 -179.657 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 40.1 p90 -63.66 -15.71 59.04 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.447 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.521 ' CZ ' ' HB2' ' A' ' 90' ' ' ALA . 0.3 OUTLIER -94.75 -61.14 1.55 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.72 0.295 . . . . 0.0 110.958 -179.67 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 18.8 m -144.46 95.39 2.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.983 179.738 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.492 ' HB2' ' HA ' ' A' ' 101' ' ' ALA . 0.0 OUTLIER -150.36 -172.16 4.1 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.028 0.442 . . . . 0.0 111.546 179.901 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 2.6 m120 . . . . . 0 N--CA 1.466 0.374 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.535 -179.785 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 19.3 mttt . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.895 0.378 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.473 ' CE1' ' HB ' ' A' ' 87' ' ' ILE . 4.0 p90 -127.54 -177.33 4.05 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.807 179.753 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -116.97 118.23 31.86 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.942 0.401 . . . . 0.0 111.096 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.806 ' HB2' HD13 ' A' ' 87' ' ' ILE . 7.4 t0 -102.36 98.04 8.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.391 179.65 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.589 ' CD2' HD23 ' A' ' 82' ' ' LEU . 5.9 p80 -46.95 -48.04 21.61 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.673 -179.367 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.589 HD23 ' CD2' ' A' ' 81' ' ' HIS . 0.2 OUTLIER -52.36 -25.24 9.24 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.875 0.369 . . . . 0.0 110.879 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.433 HD12 HG12 ' A' ' 87' ' ' ILE . 33.6 mt -104.43 -21.43 13.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.803 179.724 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.43 ' CG ' ' O ' ' A' ' 83' ' ' LEU . 0.1 OUTLIER 64.06 16.1 9.72 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.4 -179.622 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -126.9 -179.19 4.71 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.588 179.772 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 15.6 p -103.97 101.99 11.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.656 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.806 HD13 ' HB2' ' A' ' 80' ' ' ASP . 3.0 mp -95.87 159.17 2.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.118 -179.71 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.482 ' N ' HG22 ' A' ' 87' ' ' ILE . 0.2 OUTLIER -82.32 165.84 20.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.129 -179.908 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 90.4 m -102.49 -37.78 7.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.764 ' HB2' ' CZ ' ' A' ' 103' ' ' PHE . . . -54.43 -42.58 70.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.312 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 34.2 p -65.3 -15.78 62.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.414 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.492 HD11 ' SG ' ' A' ' 100' ' ' CYS . 14.3 pt -118.78 24.7 4.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.584 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.6 m -61.79 121.21 12.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.937 0.398 . . . . 0.0 110.833 179.714 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 108.13 -36.08 4.59 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.924 -0.655 . . . . 0.0 112.231 -179.747 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -131.9 59.26 1.71 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.845 0.355 . . . . 0.0 110.67 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' HIS . . . . . 0.469 ' CD2' ' CB ' ' A' ' 100' ' ' CYS . 32.2 p-80 -129.52 157.07 77.53 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.944 -179.757 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.412 ' HD2' ' HB2' ' A' ' 96' ' ' HIS . 22.3 Cg_endo -61.31 -176.88 0.18 Allowed 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.607 2.204 . . . . 0.0 112.232 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.57 -38.5 87.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.083 -179.812 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.39 -36.27 42.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.123 -179.79 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' CYS . . . . . 0.492 ' SG ' HD11 ' A' ' 92' ' ' ILE . 24.9 m -91.94 13.62 18.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.005 179.692 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -69.21 -16.1 63.54 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.748 0.309 . . . . 0.0 111.657 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 18.6 p90 -79.89 -0.75 36.21 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.637 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.764 ' CZ ' ' HB2' ' A' ' 90' ' ' ALA . 1.1 t80 -104.02 -68.57 0.84 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.752 0.311 . . . . 0.0 111.119 -179.792 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 86.6 m -127.61 75.07 1.57 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.932 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -155.53 -172.79 4.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.955 0.407 . . . . 0.0 111.12 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 6.1 p30 . . . . . 0 C--N 1.331 -0.232 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.457 -179.772 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.175 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.4 171.26 8.21 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 120.744 0.307 . . . . 0.0 110.84 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.483 ' HG2' ' CZ3' ' A' ' 67' ' ' TRP . 91.6 Cg_endo -82.0 4.84 6.73 Favored 'Trans proline' 0 N--CA 1.461 -0.389 0 C-N-CA 122.649 2.232 . . . . 0.0 112.781 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.483 ' CZ3' ' HG2' ' A' ' 66' ' ' PRO . 4.5 m95 -75.31 90.37 2.62 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.827 0.346 . . . . 0.0 110.764 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -145.56 -33.78 0.34 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.495 -179.719 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.538 ' N ' HD12 ' A' ' 69' ' ' LEU . 3.6 mp -88.9 20.21 3.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.501 -179.69 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.6 t -73.18 165.36 25.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.82 0.343 . . . . 0.0 110.975 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 23.9 p -135.46 141.95 45.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.722 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 14.1 mtm180 -118.12 95.46 4.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.097 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.63 -32.7 13.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.571 179.534 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -119.99 -165.39 1.17 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.748 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.74 -39.36 31.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.975 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -115.22 133.46 10.98 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.449 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 44.5 mttt -160.06 -177.9 6.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.817 0.342 . . . . 0.0 111.057 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.494 ' CE1' ' HB ' ' A' ' 87' ' ' ILE . 3.2 p90 -165.13 167.41 18.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -112.94 116.37 29.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.833 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.921 ' HB2' HD13 ' A' ' 87' ' ' ILE . 2.0 t0 -88.89 104.91 17.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.583 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 26.3 t60 -51.55 -60.34 3.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.848 -179.415 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.524 HD23 ' H ' ' A' ' 82' ' ' LEU . 0.2 OUTLIER -46.81 -28.3 1.51 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.52 -179.491 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.434 ' HB2' ' HB3' ' A' ' 80' ' ' ASP . 76.4 mt -94.09 -28.13 15.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.923 0.392 . . . . 0.0 111.019 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 7.1 ttt-85 69.13 12.28 8.46 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.999 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -120.81 -179.36 3.98 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.602 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 7.8 p -103.73 109.91 21.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.38 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.921 HD13 ' HB2' ' A' ' 80' ' ' ASP . 2.6 mp -107.23 150.43 9.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.235 -179.337 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.22 168.32 11.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.918 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 75.1 m -108.0 -30.66 8.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.983 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.913 ' HB2' ' CZ ' ' A' ' 103' ' ' PHE . . . -74.81 -31.22 61.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.206 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.59 -24.81 60.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.153 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.523 HD12 ' CB ' ' A' ' 96' ' ' HIS . 11.3 pt -110.22 26.47 2.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.608 -179.737 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.6 m -60.84 123.89 18.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.946 0.403 . . . . 0.0 110.846 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 103.4 -28.65 14.72 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.24 -179.721 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -138.88 60.12 1.6 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.007 0.432 . . . . 0.0 110.599 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.523 ' CB ' HD12 ' A' ' 92' ' ' ILE . 30.3 p-80 -132.12 157.06 79.24 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.107 -179.649 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.403 ' HD2' ' HB2' ' A' ' 96' ' ' HIS . 19.8 Cg_endo -58.45 -176.62 0.09 OUTLIER 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.603 2.202 . . . . 0.0 112.065 179.703 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.67 -34.11 75.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.25 -179.652 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.423 ' O ' ' CE2' ' A' ' 102' ' ' TYR . 0.0 OUTLIER -54.85 -37.5 66.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.3 -179.736 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.452 ' CB ' ' CD2' ' A' ' 96' ' ' HIS . 35.3 m -90.92 14.93 12.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.388 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.403 ' HA ' ' HB2' ' A' ' 105' ' ' GLU . . . -68.19 -25.92 65.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.799 0.333 . . . . 0.0 111.404 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.423 ' CE2' ' O ' ' A' ' 99' ' ' GLN . 13.0 p90 -68.23 -10.77 56.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.586 -179.699 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.913 ' CZ ' ' HB2' ' A' ' 90' ' ' ALA . 1.0 OUTLIER -94.58 -69.23 0.76 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.701 0.286 . . . . 0.0 111.233 -179.756 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 76.2 m -126.97 79.48 1.88 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.116 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.403 ' HB2' ' HA ' ' A' ' 101' ' ' ALA . 3.2 mt-10 -166.27 -173.41 2.55 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.886 0.374 . . . . 0.0 111.098 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -53.74 -30.84 46.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.219 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.89 -36.62 72.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.211 -179.73 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -132.41 -69.12 0.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.933 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 2.3 ttt85 . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.366 -0.826 . . . . 0.0 110.917 -179.979 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.238 0 N-CA-C 112.423 -0.271 . . . . 0.0 112.423 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 57.8 p -61.77 162.83 14.55 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 120.635 0.255 . . . . 0.0 110.82 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.467 ' HG2' ' CZ3' ' A' ' 67' ' ' TRP . 93.6 Cg_endo -89.93 23.93 0.66 Allowed 'Trans proline' 0 N--CA 1.457 -0.66 0 C-N-CA 122.888 2.392 . . . . 0.0 112.755 -179.767 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.467 ' CZ3' ' HG2' ' A' ' 66' ' ' PRO . 4.4 m95 -97.41 36.2 1.51 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.879 0.371 . . . . 0.0 110.785 179.761 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.5 m -164.01 46.02 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.34 -52.71 62.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.919 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 54.1 p -173.61 49.75 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 83.9 m -119.87 -179.82 4.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.929 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -84.28 157.22 21.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.803 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.05 8.23 33.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.385 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.55 137.77 57.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.816 0.341 . . . . 0.0 110.857 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 8.8 mp0 -80.16 -2.23 43.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.426 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -85.08 5.98 80.98 Favored Glycine 0 C--N 1.332 0.318 0 C-N-CA 120.587 -0.816 . . . . 0.0 112.877 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 27.5 mttt -137.32 150.62 47.89 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.784 0.326 . . . . 0.0 110.876 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.484 ' HE2' HD11 ' A' ' 92' ' ' ILE . 36.7 p90 -118.64 169.64 9.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.763 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -117.19 130.88 56.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.857 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.69 ' HB2' HD13 ' A' ' 87' ' ' ILE . 38.3 t0 -104.92 121.07 42.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.645 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 56.2 p-80 -69.13 -49.14 59.69 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.682 -179.39 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -54.96 -23.07 17.32 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.661 0.267 . . . . 0.0 111.225 -179.792 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 24.1 mt -102.22 -25.12 13.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.965 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 69.43 15.8 8.31 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.005 -179.731 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -124.83 175.77 7.05 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.716 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 7.9 m -103.65 98.52 8.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.457 179.695 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.69 HD13 ' HB2' ' A' ' 80' ' ' ASP . 3.4 mp -89.07 123.96 41.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.31 -179.521 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.5 p -77.9 168.73 19.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.825 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 14.7 m -93.53 -43.36 8.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.91 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.858 ' HB2' ' CE2' ' A' ' 103' ' ' PHE . . . -64.84 -29.49 70.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.366 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 41.9 t -72.4 -16.52 61.84 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.507 -179.693 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.484 HD11 ' HE2' ' A' ' 78' ' ' PHE . 10.5 pt -118.4 25.37 4.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 N-CA-C 111.666 0.247 . . . . 0.0 111.666 -179.701 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.6 m -57.5 116.8 3.59 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.973 0.416 . . . . 0.0 111.02 179.635 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 122.72 -47.99 0.98 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.096 -179.642 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -130.55 65.1 1.54 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.025 0.441 . . . . 0.0 110.444 179.609 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.457 ' HB2' ' HD2' ' A' ' 97' ' ' PRO . 1.9 p-80 -126.2 159.27 63.25 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.026 -179.554 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.457 ' HD2' ' HB2' ' A' ' 96' ' ' HIS . 20.5 Cg_endo -60.78 170.06 5.0 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.534 2.156 . . . . 0.0 112.245 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.2 -26.68 61.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.252 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.406 ' O ' ' CE2' ' A' ' 102' ' ' TYR . 1.3 tt0 -61.6 -35.83 78.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.444 -0.343 . . . . 0.0 111.182 -179.724 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.437 ' HB2' ' CG ' ' A' ' 96' ' ' HIS . 81.2 m -94.53 24.42 4.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.171 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -78.22 -19.8 53.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.561 -0.291 . . . . 0.0 111.537 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.406 ' CE2' ' O ' ' A' ' 99' ' ' GLN . 28.1 p90 -76.3 -5.1 45.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.619 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.858 ' CE2' ' HB2' ' A' ' 90' ' ' ALA . 0.7 OUTLIER -100.65 -69.16 0.78 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.842 0.353 . . . . 0.0 111.05 -179.722 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 60.6 m -129.5 85.09 2.27 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.565 179.697 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -160.88 -172.84 3.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.024 0.44 . . . . 0.0 111.167 -179.82 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -49.88 -35.78 24.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.34 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 19.6 mtmt -64.83 -44.35 90.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.895 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -140.98 103.05 4.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.843 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.297 -0.858 . . . . 0.0 110.885 -179.97 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.212 0 N-CA-C 112.558 -0.217 . . . . 0.0 112.558 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.1 p -79.72 153.36 75.63 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 120.81 0.338 . . . . 0.0 110.957 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.49 ' HG2' ' CE3' ' A' ' 67' ' ' TRP . 35.2 Cg_endo -64.64 -49.19 3.39 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.682 2.254 . . . . 0.0 112.345 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.49 ' CE3' ' HG2' ' A' ' 66' ' ' PRO . 10.6 p90 -108.38 125.44 51.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.966 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -174.93 -63.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.819 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.1 pp -106.17 -15.96 14.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.123 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.1 t -58.54 -41.16 84.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.771 0.319 . . . . 0.0 111.095 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 4.2 t -108.08 165.23 11.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.937 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 7.7 mpt_? -59.24 176.17 0.26 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.043 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.3 mmpt? -94.03 8.04 42.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.495 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -59.59 120.96 10.41 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.888 0.375 . . . . 0.0 110.933 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -63.88 -17.71 63.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.21 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -92.75 25.76 17.57 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.671 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.1 mttp -139.91 142.31 36.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.891 0.377 . . . . 0.0 110.727 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.427 ' CE1' ' HB ' ' A' ' 87' ' ' ILE . 34.1 p90 -132.48 172.21 12.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.073 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.438 ' CG ' ' HB3' ' A' ' 67' ' ' TRP . 6.2 t80 -117.12 121.05 40.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.721 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.702 ' HB2' HD13 ' A' ' 87' ' ' ILE . 43.9 t0 -93.42 120.01 33.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.622 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 8.1 p80 -66.96 -48.88 67.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.539 -179.381 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -57.11 -21.91 35.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.71 0.29 . . . . 0.0 111.31 -179.737 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.402 ' O ' ' HB2' ' A' ' 84' ' ' ARG . 32.1 mt -105.59 -23.29 12.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.089 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.402 ' HB2' ' O ' ' A' ' 83' ' ' LEU . 4.3 mmt180 66.7 16.73 10.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.957 -179.644 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -122.87 175.92 6.28 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.71 179.775 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 19.8 t -103.71 99.46 9.25 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.944 0.402 . . . . 0.0 110.57 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.702 HD13 ' HB2' ' A' ' 80' ' ' ASP . 3.1 mp -97.84 134.2 36.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.408 -179.343 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.2 m -91.62 168.81 11.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.571 179.689 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 23.7 m -93.46 -54.04 3.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.797 0.332 . . . . 0.0 110.904 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.875 ' HB2' ' CE2' ' A' ' 103' ' ' PHE . . . -55.09 -28.55 53.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.46 -179.762 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.34 -2.01 47.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.746 -179.689 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.424 ' CG1' ' HB3' ' A' ' 96' ' ' HIS . 6.1 pt -128.82 25.39 2.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 N-CA-C 111.79 0.292 . . . . 0.0 111.79 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.6 m -58.03 116.93 3.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.917 0.389 . . . . 0.0 110.893 179.627 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 118.71 -43.43 1.59 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.98 -0.629 . . . . 0.0 112.072 -179.608 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -131.41 65.15 1.57 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.976 0.417 . . . . 0.0 110.33 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.509 ' HB2' ' HD2' ' A' ' 97' ' ' PRO . 1.9 p-80 -131.98 160.16 68.97 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.285 -179.408 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.509 ' HD2' ' HB2' ' A' ' 96' ' ' HIS . 24.1 Cg_endo -61.4 -177.03 0.19 Allowed 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.676 2.251 . . . . 0.0 112.428 179.8 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 8.8 ttpt -64.92 -40.49 95.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.403 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.427 ' O ' ' CE2' ' A' ' 102' ' ' TYR . 0.0 OUTLIER -54.0 -31.37 50.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.473 -179.504 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.426 ' HB2' ' CG ' ' A' ' 96' ' ' HIS . 70.8 m -94.04 19.79 8.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.532 -0.303 . . . . 0.0 111.076 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.512 ' HB2' ' OE2' ' A' ' 105' ' ' GLU . . . -78.42 -26.12 46.25 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.789 0.328 . . . . 0.0 111.659 -179.816 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.427 ' CE2' ' O ' ' A' ' 99' ' ' GLN . 26.4 p90 -66.96 -12.44 59.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.542 -179.839 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.875 ' CE2' ' HB2' ' A' ' 90' ' ' ALA . 0.6 OUTLIER -94.48 -69.88 0.73 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.713 0.292 . . . . 0.0 111.014 -179.692 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 58.0 m -129.34 92.03 3.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.752 179.706 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.512 ' OE2' ' HB2' ' A' ' 101' ' ' ALA . 1.6 mt-10 -165.83 -172.83 2.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.936 0.398 . . . . 0.0 111.068 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -46.41 -49.83 17.51 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.289 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.15 141.61 47.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.943 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.628 HD12 ' HB2' ' A' ' 109' ' ' ARG . 0.6 OUTLIER -157.74 -45.59 0.06 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.078 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.628 ' HB2' HD12 ' A' ' 108' ' ' LEU . 1.2 mtp180 . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.197 -0.906 . . . . 0.0 110.765 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.214 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.424 ' HA ' ' HD2' ' A' ' 66' ' ' PRO . 32.7 p -105.61 103.29 42.67 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 120.529 0.204 . . . . 0.0 110.873 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.432 ' HB2' ' CE3' ' A' ' 67' ' ' TRP . 19.3 Cg_endo -59.94 -67.27 0.05 OUTLIER 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.323 2.015 . . . . 0.0 112.299 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.432 ' CE3' ' HB2' ' A' ' 66' ' ' PRO . 5.6 m-90 -106.73 168.44 9.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.965 179.814 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 11.2 t -176.68 49.85 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.824 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.23 -25.97 15.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.026 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.5 m -88.74 51.6 2.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.905 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 1.7 m -163.04 -175.46 4.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.152 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -112.38 176.53 4.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.861 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.68 -15.95 44.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.566 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -44.19 140.21 2.26 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.83 0.347 . . . . 0.0 111.331 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -80.23 -30.76 38.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.075 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -76.32 60.51 3.18 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.544 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.7 mmtm -151.61 162.59 40.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.84 0.352 . . . . 0.0 110.863 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.533 ' CZ ' ' HB ' ' A' ' 87' ' ' ILE . 19.5 p90 -159.28 168.18 27.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.768 179.673 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.414 ' CE2' ' HB2' ' A' ' 67' ' ' TRP . 7.8 t80 -117.06 126.79 53.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.135 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.585 ' CB ' HD13 ' A' ' 87' ' ' ILE . 9.0 t0 -96.37 119.66 35.26 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.2 179.488 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.415 ' CG ' ' N ' ' A' ' 82' ' ' LEU . 39.8 p-80 -67.58 -49.14 64.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.956 -179.003 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.415 ' N ' ' CG ' ' A' ' 81' ' ' HIS . 0.5 OUTLIER -62.88 -16.02 57.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.611 0.244 . . . . 0.0 111.451 -179.58 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.414 ' HB2' ' HB3' ' A' ' 80' ' ' ASP . 45.8 mt -105.03 -24.87 12.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.774 0.321 . . . . 0.0 111.167 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 67.62 14.73 9.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.242 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -123.14 172.04 8.87 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.794 0.331 . . . . 0.0 110.776 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 37.5 t -103.61 97.55 7.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.386 179.521 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.633 HD12 ' N ' ' A' ' 87' ' ' ILE . 3.2 mp -84.64 148.83 4.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.241 -179.451 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.0 m -92.45 168.05 11.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.917 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 66.3 m -107.27 -48.17 3.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.084 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.866 ' HB2' ' CE2' ' A' ' 103' ' ' PHE . . . -57.38 -30.66 65.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.282 -179.785 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.12 -21.09 59.09 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.258 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 7.9 pt -115.3 24.0 5.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.621 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' CYS . . . . . 0.464 ' HA ' ' CE1' ' A' ' 96' ' ' HIS . 1.6 m -62.48 116.71 5.34 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.975 0.417 . . . . 0.0 110.878 179.699 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 114.4 -28.28 8.36 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.94 -0.648 . . . . 0.0 112.328 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 20.9 mm-40 -140.01 49.04 1.77 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.975 0.417 . . . . 0.0 110.651 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.469 ' HB2' ' HD2' ' A' ' 97' ' ' PRO . 1.9 p-80 -121.14 159.21 50.49 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.844 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.469 ' HD2' ' HB2' ' A' ' 96' ' ' HIS . 31.3 Cg_endo -63.95 179.59 1.04 Allowed 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.477 2.118 . . . . 0.0 112.107 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 5.6 ttpt -62.93 -24.26 67.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.283 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -60.99 -39.61 90.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.142 -179.785 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 64.0 m -94.3 27.36 2.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.167 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -77.11 -31.23 55.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.823 0.344 . . . . 0.0 111.135 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 29.4 p90 -60.9 -20.05 61.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.204 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.866 ' CE2' ' HB2' ' A' ' 90' ' ' ALA . 0.3 OUTLIER -86.71 -69.9 0.64 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.134 -179.633 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 24.8 m -132.53 95.46 3.62 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.921 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -166.07 -175.64 3.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.928 0.394 . . . . 0.0 111.052 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -58.46 86.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.177 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.407 ' HG3' ' N ' ' A' ' 108' ' ' LEU . 16.5 ptmt -179.14 -36.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.006 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.407 ' N ' ' HG3' ' A' ' 107' ' ' LYS . 0.2 OUTLIER -112.34 64.93 0.63 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.984 -179.755 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 3.0 mtp180 . . . . . 0 C--O 1.25 1.129 0 CA-C-O 118.188 -0.911 . . . . 0.0 110.86 179.854 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.239 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 12.2 t -150.82 136.86 10.88 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 120.628 0.252 . . . . 0.0 110.881 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -79.55 -35.35 0.82 Allowed 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.535 2.156 . . . . 0.0 112.875 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 10.3 m-90 -118.93 -82.15 0.64 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.687 0.279 . . . . 0.0 111.552 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 94.5 p -87.4 111.01 20.68 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.875 0.369 . . . . 0.0 111.273 -179.49 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.4 -27.75 62.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.027 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 38.3 m -57.08 103.51 0.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.025 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 53.7 m -133.41 -178.71 5.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.953 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.1 mtp180 -60.6 159.95 9.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 15.6 tttt -83.87 -26.12 29.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.095 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -57.39 145.67 31.83 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.019 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.28 -60.81 2.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.972 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -63.65 84.5 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.523 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.65 135.43 12.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.79 0.328 . . . . 0.0 110.827 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.5 ' CE1' ' HB ' ' A' ' 87' ' ' ILE . 4.6 p90 -117.35 164.45 14.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.963 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -112.01 130.72 55.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.998 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.67 ' HB2' HD13 ' A' ' 87' ' ' ILE . 37.3 t0 -106.49 112.3 25.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.579 179.787 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.539 ' CE1' HD23 ' A' ' 82' ' ' LEU . 54.1 p-80 -61.8 -48.82 78.9 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.804 -179.286 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.539 HD23 ' CE1' ' A' ' 81' ' ' HIS . 0.4 OUTLIER -54.89 -23.3 18.03 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.704 0.287 . . . . 0.0 111.237 -179.784 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 36.4 mt -102.78 -24.03 13.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.078 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 10.3 mtt180 67.6 14.52 9.57 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.18 -179.508 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -123.42 175.81 6.52 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.645 179.738 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 1.7 m -103.72 103.93 13.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.312 179.737 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.682 HD12 ' N ' ' A' ' 87' ' ' ILE . 2.9 mp -97.72 156.0 3.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.484 -179.281 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.448 ' N ' HG22 ' A' ' 87' ' ' ILE . 3.6 m -93.18 163.19 13.72 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.69 179.801 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 56.0 m -106.94 -33.47 7.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.82 0.343 . . . . 0.0 111.039 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.889 ' HB2' ' CE2' ' A' ' 103' ' ' PHE . . . -71.82 -23.66 61.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.359 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.24 -19.9 35.54 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.364 -179.672 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.535 HD12 ' CB ' ' A' ' 96' ' ' HIS . 14.6 pt -113.8 25.22 4.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 111.699 0.259 . . . . 0.0 111.699 -179.671 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' CYS . . . . . 0.458 ' HA ' ' CE1' ' A' ' 96' ' ' HIS . 1.6 m -64.35 116.71 6.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.951 0.405 . . . . 0.0 110.878 179.714 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 118.64 -28.59 6.69 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.271 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.51 56.9 1.23 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.983 0.42 . . . . 0.0 110.473 179.801 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.535 ' CB ' HD12 ' A' ' 92' ' ' ILE . 1.8 p-80 -124.29 159.71 55.98 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.052 -179.688 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.453 ' HD2' ' HB2' ' A' ' 96' ' ' HIS . 34.5 Cg_endo -64.79 -177.0 0.49 Allowed 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.483 2.122 . . . . 0.0 112.154 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 6.0 ttpt -63.61 -29.46 70.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.107 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.6 -37.93 71.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.173 -179.775 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.47 ' SG ' HD11 ' A' ' 92' ' ' ILE . 87.0 m -98.64 26.99 5.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.171 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -78.7 -21.95 47.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.352 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 29.4 p90 -72.11 -24.39 61.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.216 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.889 ' CE2' ' HB2' ' A' ' 90' ' ' ALA . 0.3 OUTLIER -80.1 -70.25 0.53 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.048 -179.624 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 18.6 m -132.69 96.43 3.81 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.77 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -166.15 -172.7 2.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.955 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -49.76 -29.59 8.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.168 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -125.25 126.9 45.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.916 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 1.8 pp -159.07 163.26 36.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.943 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 1.9 mmt85 . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.265 -0.874 . . . . 0.0 110.931 -179.93 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.193 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 57.7 m -96.57 137.86 21.47 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 120.655 0.264 . . . . 0.0 110.889 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -54.55 -55.08 3.62 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.383 2.056 . . . . 0.0 112.249 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 17.5 m-90 -62.76 179.48 0.35 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.961 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 28.3 t -178.44 -36.32 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.956 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.7 pp -83.91 4.36 29.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.517 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 26.4 m -95.67 38.22 1.17 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.828 0.347 . . . . 0.0 110.966 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 1.8 m -129.52 151.9 49.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.825 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 9.6 mtm180 -65.46 169.49 5.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.868 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.73 -20.82 52.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.228 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -52.24 114.83 1.46 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.841 0.353 . . . . 0.0 111.109 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -65.96 -38.58 88.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.83 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -79.92 61.47 4.31 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.478 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -158.49 146.03 17.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.769 0.319 . . . . 0.0 110.941 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.471 ' CE1' ' HB ' ' A' ' 87' ' ' ILE . 2.7 p90 -126.95 169.19 13.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.947 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -109.98 133.93 52.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.825 179.672 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.545 ' CB ' HD13 ' A' ' 87' ' ' ILE . 5.7 t0 -106.87 141.7 37.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.387 179.65 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 38.8 p-80 -82.51 -52.16 7.11 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.655 -179.321 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.449 HD23 ' H ' ' A' ' 82' ' ' LEU . 0.6 OUTLIER -60.84 -17.84 52.25 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.619 0.247 . . . . 0.0 111.213 -179.804 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.407 ' HB2' ' HB3' ' A' ' 80' ' ' ASP . 45.2 mt -101.51 -27.78 12.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.862 0.363 . . . . 0.0 110.858 179.668 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? 65.47 18.42 11.29 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.959 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -131.22 -179.81 5.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.735 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 31.8 t -103.93 109.71 21.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.49 179.732 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.643 HD12 ' N ' ' A' ' 87' ' ' ILE . 3.4 mp -106.66 160.65 6.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.293 -179.44 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.511 ' N ' HG22 ' A' ' 87' ' ' ILE . 0.9 OUTLIER -94.8 168.15 10.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.392 179.599 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 68.6 m -104.8 -27.79 11.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.135 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.759 ' HB2' ' CE2' ' A' ' 103' ' ' PHE . . . -74.25 -23.03 59.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.352 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -86.44 -22.47 26.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.422 -179.766 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.74 HD11 ' SG ' ' A' ' 100' ' ' CYS . 18.7 pt -108.06 23.61 3.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.574 -179.744 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' CYS . . . . . 0.493 ' HA ' ' CE1' ' A' ' 96' ' ' HIS . 1.6 m -66.46 116.82 7.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.963 0.411 . . . . 0.0 111.067 179.775 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 124.81 -36.78 2.76 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.921 -0.657 . . . . 0.0 112.331 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -143.08 58.4 1.41 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.926 0.393 . . . . 0.0 110.662 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.493 ' CE1' ' HA ' ' A' ' 93' ' ' CYS . 1.6 p-80 -120.59 160.31 44.69 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.008 -179.748 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.469 ' HD2' ' HB2' ' A' ' 96' ' ' HIS . 40.8 Cg_endo -67.77 176.29 5.33 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.394 2.062 . . . . 0.0 112.076 179.751 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.03 -27.95 64.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.191 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.405 ' HG2' ' CD2' ' A' ' 78' ' ' PHE . 0.8 OUTLIER -56.39 -42.32 77.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.172 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.74 ' SG ' HD11 ' A' ' 92' ' ' ILE . 55.0 m -95.5 24.62 5.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.936 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.463 ' HA ' ' HB2' ' A' ' 105' ' ' GLU . . . -76.26 -17.58 59.41 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.366 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 25.8 p90 -77.63 -3.35 40.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.499 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.759 ' CE2' ' HB2' ' A' ' 90' ' ' ALA . 0.3 OUTLIER -103.35 -69.26 0.8 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.78 0.324 . . . . 0.0 110.804 -179.637 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 13.1 m -134.31 84.94 2.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.547 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.686 ' O ' HD23 ' A' ' 108' ' ' LEU . 0.0 OUTLIER -146.11 -173.37 4.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.022 0.439 . . . . 0.0 111.2 -179.727 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 106' ' ' ASN . 3.3 p-10 -68.16 76.12 0.24 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.946 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.66 -41.88 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.31 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.686 HD23 ' O ' ' A' ' 105' ' ' GLU . 0.6 OUTLIER -65.13 139.41 58.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.817 0.342 . . . . 0.0 110.879 -179.907 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.262 -0.875 . . . . 0.0 110.926 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.246 0 N-CA-C 112.511 -0.235 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 18.3 p -91.87 101.63 4.89 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 120.503 0.192 . . . . 0.0 110.871 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.403 ' HG2' ' CE3' ' A' ' 67' ' ' TRP . 18.7 Cg_endo -58.54 -54.17 3.22 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.39 2.06 . . . . 0.0 112.317 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.403 ' CE3' ' HG2' ' A' ' 66' ' ' PRO . 21.6 m-90 -110.29 111.11 22.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.92 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.4 p -99.5 37.52 1.57 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -106.04 -22.75 12.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.174 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 43.9 m -74.24 -74.75 0.18 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.187 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 1.9 p -155.25 135.78 13.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.087 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.4 ptp180 -118.05 96.39 5.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.821 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.9 mttt -61.02 -59.03 6.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.06 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -175.55 175.36 2.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.947 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -59.47 -27.46 66.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -92.39 43.72 2.64 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.557 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.2 mptt -144.97 174.77 10.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.739 0.304 . . . . 0.0 110.962 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.553 ' CE2' ' NE2' ' A' ' 99' ' ' GLN . 26.9 p90 -144.42 167.06 23.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.07 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -117.43 125.9 51.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.485 179.542 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.609 ' CB ' HD13 ' A' ' 87' ' ' ILE . 65.3 t0 -95.45 126.14 40.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.76 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 56.7 p-80 -71.44 -49.04 45.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.624 -179.403 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.42 -20.42 44.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.201 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 47.6 mt -104.93 -25.03 12.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.891 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 4.4 tmm_? 65.41 16.67 10.64 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.101 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -120.15 175.6 5.86 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.809 0.338 . . . . 0.0 110.758 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 5.3 p -103.87 94.17 5.27 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.585 179.706 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.609 HD13 ' CB ' ' A' ' 80' ' ' ASP . 3.8 mp -84.46 148.46 4.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.085 -179.734 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.54 168.17 9.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.805 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 71.9 m -100.81 -45.08 5.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.07 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.449 ' HB2' ' CZ ' ' A' ' 103' ' ' PHE . . . -53.11 -26.06 15.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.435 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.21 -24.25 34.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.292 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 7.3 pt -113.0 22.26 5.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.563 -0.289 . . . . 0.0 111.659 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' CYS . . . . . 0.442 ' HA ' ' CE1' ' A' ' 96' ' ' HIS . 1.6 m -60.51 116.93 4.7 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.934 0.397 . . . . 0.0 111.065 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 118.12 -34.22 4.54 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.909 -0.663 . . . . 0.0 112.256 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -139.03 57.58 1.66 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.886 0.374 . . . . 0.0 110.713 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.442 ' CE1' ' HA ' ' A' ' 93' ' ' CYS . 2.0 p-80 -126.94 155.69 75.27 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.144 -179.786 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -63.52 175.52 2.75 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.646 2.231 . . . . 0.0 112.127 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.15 -25.0 60.94 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.978 179.795 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.553 ' NE2' ' CE2' ' A' ' 78' ' ' PHE . 3.7 pt20 -60.49 -17.99 48.76 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.022 179.754 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 53.7 m -122.01 16.44 10.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.902 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.449 ' HA ' ' HB2' ' A' ' 105' ' ' GLU . . . -69.85 -20.55 63.41 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.705 -179.715 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.412 ' CE2' ' O ' ' A' ' 99' ' ' GLN . 13.6 p90 -76.84 -13.45 60.0 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 111.812 0.301 . . . . 0.0 111.812 -179.661 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.449 ' CZ ' ' HB2' ' A' ' 90' ' ' ALA . 0.7 OUTLIER -89.52 -68.63 0.76 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.763 0.316 . . . . 0.0 110.931 -179.734 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 57.0 m -128.95 81.27 2.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.754 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.449 ' HB2' ' HA ' ' A' ' 101' ' ' ALA . 0.0 OUTLIER -166.19 -173.0 2.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.948 0.404 . . . . 0.0 111.251 -179.931 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -51.71 -29.7 19.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.259 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 33.1 mtpt -73.65 -28.24 61.68 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.082 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -151.5 102.36 2.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.022 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 3.4 mtm-85 . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.194 -0.908 . . . . 0.0 110.831 179.992 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.195 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.9 m -127.15 81.46 69.92 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 120.7 0.286 . . . . 0.0 110.896 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.497 ' HB2' ' CE3' ' A' ' 67' ' ' TRP . 25.6 Cg_exo -62.39 -65.43 0.06 OUTLIER 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.574 2.183 . . . . 0.0 112.179 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.497 ' CE3' ' HB2' ' A' ' 66' ' ' PRO . 17.4 m-90 -102.17 -65.16 1.0 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.895 0.379 . . . . 0.0 110.825 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.82 112.23 2.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.004 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.6 mt -104.47 -27.49 11.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.949 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 20.7 t -111.56 147.53 35.2 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.009 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 4.6 t -163.02 166.9 23.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.65 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 7.0 mtt180 -57.66 171.21 0.49 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.061 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.9 ptpt -83.63 -16.79 43.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.417 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.59 118.28 2.97 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-O 120.863 0.364 . . . . 0.0 111.13 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -59.71 -33.66 71.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.965 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -76.34 62.47 3.04 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.415 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.0 mttm -141.32 123.1 15.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.916 0.389 . . . . 0.0 110.931 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.615 ' HE1' HD11 ' A' ' 92' ' ' ILE . 50.5 p90 -113.47 177.45 4.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.863 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -117.47 125.63 51.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.927 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.566 ' HB2' HD13 ' A' ' 87' ' ' ILE . 43.6 t0 -111.95 111.76 22.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.597 179.649 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.405 ' CG ' ' N ' ' A' ' 82' ' ' LEU . 36.7 p-80 -53.46 -49.11 68.12 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.961 -179.255 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.405 ' N ' ' CG ' ' A' ' 81' ' ' HIS . 1.9 pp -56.45 -21.83 28.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.667 0.27 . . . . 0.0 111.324 -179.686 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.525 HD12 ' CD1' ' A' ' 87' ' ' ILE . 23.8 mt -103.02 -25.4 13.45 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.929 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 66.16 18.53 10.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.179 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -134.03 178.6 6.83 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.771 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 9.0 p -103.43 98.01 7.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.24 179.507 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.566 HD13 ' HB2' ' A' ' 80' ' ' ASP . 4.6 mp -83.73 146.74 6.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.817 -0.628 . . . . 0.0 111.371 -179.252 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -85.84 168.14 14.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.024 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 62.5 m -102.36 -44.86 5.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.934 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.89 ' HB2' ' CZ ' ' A' ' 103' ' ' PHE . . . -57.63 -34.91 69.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.26 -179.776 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 77.5 p -70.86 -17.24 62.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.486 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.615 HD11 ' HE1' ' A' ' 78' ' ' PHE . 6.3 pt -120.71 24.6 4.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 N-CA-C 111.688 0.255 . . . . 0.0 111.688 -179.76 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' CYS . . . . . 0.453 ' HA ' ' CE1' ' A' ' 96' ' ' HIS . 1.6 m -61.33 116.72 4.85 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.955 0.407 . . . . 0.0 110.875 179.564 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 112.28 -28.07 9.51 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.353 -179.66 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -137.68 46.94 2.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.929 0.395 . . . . 0.0 110.697 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.518 ' CB ' HD12 ' A' ' 92' ' ' ILE . 2.0 p-80 -120.9 159.81 47.43 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.96 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.465 ' HD2' ' HB2' ' A' ' 96' ' ' HIS . 29.1 Cg_endo -63.29 171.61 6.29 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.436 2.091 . . . . 0.0 111.998 179.773 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.6 ttpt -57.32 -25.05 58.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.331 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -60.81 -35.33 76.22 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.309 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.455 ' HB2' ' CG ' ' A' ' 96' ' ' HIS . 63.5 m -94.16 26.69 3.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.031 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.412 ' HA ' ' HB2' ' A' ' 105' ' ' GLU . . . -75.85 -30.02 58.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.925 0.393 . . . . 0.0 111.305 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 30.9 p90 -63.85 -16.96 62.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.278 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.89 ' CZ ' ' HB2' ' A' ' 90' ' ' ALA . 0.4 OUTLIER -90.04 -68.53 0.78 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.772 0.32 . . . . 0.0 110.881 -179.816 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 35.2 m -133.77 95.69 3.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.81 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.412 ' HB2' ' HA ' ' A' ' 101' ' ' ALA . 2.3 mm-40 -165.52 -172.9 2.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.124 0.487 . . . . 0.0 111.38 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -57.9 -23.07 51.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.396 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -94.31 36.63 1.13 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.838 0.351 . . . . 0.0 111.213 -179.806 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -179.08 43.07 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.891 0.377 . . . . 0.0 110.85 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 10.8 ttt-85 . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.224 -0.894 . . . . 0.0 110.886 -179.991 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.226 0 N-CA-C 112.435 -0.266 . . . . 0.0 112.435 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 78.7 p -110.09 127.42 27.1 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 120.48 0.181 . . . . 0.0 110.777 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.473 ' HB2' ' CD2' ' A' ' 67' ' ' TRP . 18.7 Cg_endo -59.56 -74.53 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.51 2.14 . . . . 0.0 112.358 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.473 ' CD2' ' HB2' ' A' ' 66' ' ' PRO . 0.5 OUTLIER -108.7 83.98 1.85 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.808 0.337 . . . . 0.0 110.807 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.6 t -169.69 137.19 1.7 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -103.45 -55.79 2.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.755 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.18 97.6 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.781 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 43.9 t -106.17 114.72 29.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.897 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -118.5 95.19 4.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.719 179.7 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.5 mmtt -94.67 -57.85 2.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.911 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -158.96 -165.2 1.57 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.825 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -80.01 -41.3 26.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.24 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -96.71 73.67 0.74 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.848 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 12.2 mmtm -140.01 164.72 29.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.709 0.29 . . . . 0.0 110.739 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.454 ' CE1' ' HB ' ' A' ' 87' ' ' ILE . 1.9 p90 -151.08 174.91 12.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.898 0.38 . . . . 0.0 111.085 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -117.21 137.84 52.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.932 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.563 ' CB ' HD13 ' A' ' 87' ' ' ILE . 55.4 t0 -112.7 130.77 55.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.608 179.668 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 69.0 t60 -68.65 -59.9 2.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.448 -179.346 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -48.13 -28.47 2.95 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.746 0.308 . . . . 0.0 111.202 -179.757 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.4 ' HB2' ' HB3' ' A' ' 80' ' ' ASP . 45.0 mt -96.42 -27.11 15.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.794 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 54.2 mtt180 64.4 17.76 10.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.196 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -124.82 -178.97 4.33 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.878 0.37 . . . . 0.0 111.028 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 2.0 p -104.66 100.82 10.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.657 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.639 HD12 ' N ' ' A' ' 87' ' ' ILE . 3.4 mp -94.41 159.36 2.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.249 -179.58 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.509 ' N ' HG22 ' A' ' 87' ' ' ILE . 0.8 OUTLIER -94.97 160.67 14.47 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.086 -179.842 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 89' ' ' CYS . . . . . 0.475 ' HA ' HD11 ' A' ' 92' ' ' ILE . 1.8 m -110.62 2.1 18.42 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.386 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.45 ' CB ' ' CZ ' ' A' ' 103' ' ' PHE . . . -99.07 -31.78 11.6 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.81 0.338 . . . . 0.0 111.23 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 65.6 p -85.66 -13.95 46.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.308 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.475 HD11 ' HA ' ' A' ' 89' ' ' CYS . 18.5 pt -95.88 26.26 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.626 0.251 . . . . 0.0 111.498 -179.799 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.7 m -60.83 131.71 51.55 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.908 0.385 . . . . 0.0 110.635 179.709 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 97.16 -25.68 25.96 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.339 -179.636 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.3 mm100 -137.93 40.38 2.34 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.734 0.302 . . . . 0.0 111.174 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.464 ' CE1' ' HB2' ' A' ' 104' ' ' CYS . 23.3 p-80 -100.75 157.72 33.19 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.815 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -65.27 176.85 2.94 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.521 2.147 . . . . 0.0 112.304 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 3.9 ttpt -69.01 -32.01 71.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.023 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -58.54 -41.97 86.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.017 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 7.0 m -100.79 27.75 5.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.107 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.425 ' O ' ' HB2' ' A' ' 105' ' ' GLU . . . -69.15 -15.77 63.49 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.292 179.715 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 16.4 p90 -77.04 -0.38 24.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.265 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.45 ' CZ ' ' CB ' ' A' ' 90' ' ' ALA . 1.5 t80 -93.43 -58.06 2.4 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.641 0.258 . . . . 0.0 111.531 -179.271 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' CYS . . . . . 0.464 ' HB2' ' CE1' ' A' ' 96' ' ' HIS . 13.0 m -139.25 38.09 2.09 Favored 'General case' 0 CA--C 1.53 0.176 0 N-CA-C 111.73 0.27 . . . . 0.0 111.73 -179.162 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.425 ' HB2' ' O ' ' A' ' 101' ' ' ALA . 1.8 tt0 -117.98 -172.14 2.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.717 0.294 . . . . 0.0 110.757 179.609 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -40.51 -36.04 0.52 Allowed 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.646 -179.664 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -108.3 170.52 7.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.869 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.467 ' HG ' ' N ' ' A' ' 109' ' ' ARG . 1.4 pt? -175.98 -35.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.266 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.467 ' N ' ' HG ' ' A' ' 108' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.184 -0.912 . . . . 0.0 110.863 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.24 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 7.1 m -158.02 58.88 1.49 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 120.847 0.356 . . . . 0.0 110.969 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.439 ' HG2' ' CE3' ' A' ' 67' ' ' TRP . 15.1 Cg_endo -57.63 -72.66 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.643 2.229 . . . . 0.0 112.3 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.439 ' CE3' ' HG2' ' A' ' 66' ' ' PRO . 13.4 m-90 -88.37 101.32 13.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.827 0.346 . . . . 0.0 110.983 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 12.1 t -115.91 40.57 2.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.2 mp -105.13 -30.05 9.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.93 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 87.1 p -112.27 85.32 2.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.968 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 30.8 m -155.73 152.74 28.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.3 166.9 19.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.969 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 67.1 mttt -69.83 -18.16 63.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.226 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -51.52 155.64 1.49 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.8 0.333 . . . . 0.0 110.988 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.35 -35.88 16.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.024 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -87.63 64.6 3.7 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.636 -0.793 . . . . 0.0 112.599 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 13.9 mttt -143.15 139.74 30.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.791 0.329 . . . . 0.0 110.74 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.438 ' CZ ' ' HB ' ' A' ' 87' ' ' ILE . 39.5 p90 -131.69 173.37 11.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.965 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -115.13 118.17 32.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.672 179.705 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.848 ' HB2' HD13 ' A' ' 87' ' ' ILE . 11.6 t0 -94.22 116.9 29.36 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.878 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 24.3 p80 -61.32 -49.27 77.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.202 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.401 HD21 ' OD1' ' A' ' 80' ' ' ASP . 0.5 OUTLIER -56.14 -22.11 26.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.445 -179.709 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.432 ' HB2' ' HB3' ' A' ' 80' ' ' ASP . 82.0 mt -104.26 -25.63 12.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.752 0.31 . . . . 0.0 111.267 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 4.3 ttm180 71.64 9.82 6.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.096 -179.612 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -123.23 -178.87 4.1 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.744 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 9.1 t -103.66 107.08 17.78 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.629 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.848 HD13 ' HB2' ' A' ' 80' ' ' ASP . 3.1 mp -105.93 152.87 7.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.401 -179.463 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -101.06 165.87 11.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.565 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 50.9 m -97.51 -40.09 8.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.869 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.841 ' HB2' ' CE2' ' A' ' 103' ' ' PHE . . . -62.87 -37.18 85.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.131 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.8 m -69.49 -11.56 60.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.636 -179.668 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.43 HD12 ' CB ' ' A' ' 96' ' ' HIS . 12.5 pt -125.21 24.02 3.39 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 N-CA-C 111.684 0.253 . . . . 0.0 111.684 -179.682 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' CYS . . . . . 0.45 ' HA ' ' CE1' ' A' ' 96' ' ' HIS . 1.5 m -63.01 117.84 7.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.052 0.453 . . . . 0.0 111.085 179.628 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 118.64 -37.59 3.16 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.171 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -138.27 58.23 1.68 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.983 0.42 . . . . 0.0 110.449 179.73 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.45 ' CE1' ' HA ' ' A' ' 93' ' ' CYS . 1.6 p-80 -123.04 164.06 29.68 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.146 -179.478 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_exo -56.72 -178.01 0.07 OUTLIER 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.615 2.21 . . . . 0.0 112.115 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.407 ' HE2' ' N ' ' A' ' 99' ' ' GLN . 0.0 OUTLIER -74.6 -17.45 60.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.189 179.897 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.407 ' N ' ' HE2' ' A' ' 98' ' ' LYS . 3.4 pt20 -73.2 -30.56 63.61 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.047 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 68.6 m -94.01 24.08 4.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.996 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.443 ' HA ' ' HB2' ' A' ' 105' ' ' GLU . . . -76.56 -24.33 53.57 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.217 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.406 ' CE2' ' O ' ' A' ' 99' ' ' GLN . 19.9 p90 -69.22 -18.91 63.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.328 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.841 ' CE2' ' HB2' ' A' ' 90' ' ' ALA . 0.3 OUTLIER -88.01 -56.99 3.1 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.747 0.308 . . . . 0.0 110.769 -179.91 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 16.2 m -148.7 101.14 3.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.69 179.664 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.443 ' HB2' ' HA ' ' A' ' 101' ' ' ALA . 0.0 OUTLIER -164.22 -172.63 2.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.987 0.422 . . . . 0.0 111.165 179.909 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -48.05 -40.04 21.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.304 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -107.8 128.51 54.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.988 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -162.13 124.23 2.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.969 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.158 -0.925 . . . . 0.0 110.94 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.253 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.3 m -56.59 108.4 1.21 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 120.545 0.212 . . . . 0.0 110.963 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.473 ' HG2' ' CE3' ' A' ' 67' ' ' TRP . 38.6 Cg_endo -66.65 -35.56 28.37 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.487 2.125 . . . . 0.0 112.384 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.473 ' CE3' ' HG2' ' A' ' 66' ' ' PRO . 15.3 p90 -130.23 135.65 48.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.107 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -159.7 -90.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.76 179.804 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.1 mt -106.47 20.14 19.44 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.7 0.286 . . . . 0.0 111.083 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 60.5 p -83.0 -30.91 27.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.813 0.34 . . . . 0.0 110.942 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 72.3 m -131.21 -175.4 3.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.956 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 4.6 mtm180 -98.7 168.21 10.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.96 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.7 tttt -90.77 8.44 34.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.326 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 -53.55 129.88 34.08 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-O 120.834 0.35 . . . . 0.0 111.072 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -75.65 -24.25 56.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.106 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -52.86 -23.97 17.48 Favored Glycine 0 C--N 1.331 0.265 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.799 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 19.2 mttt -118.34 169.64 9.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.901 0.381 . . . . 0.0 111.019 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.462 ' CE1' ' HB ' ' A' ' 87' ' ' ILE . 4.1 p90 -131.09 174.12 10.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.692 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.44 ' CE2' ' HB3' ' A' ' 67' ' ' TRP . 7.9 t80 -117.14 135.17 53.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.05 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.59 ' HB2' HD13 ' A' ' 87' ' ' ILE . 36.8 t0 -114.92 111.76 21.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.531 179.755 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.52 ' NE2' HD23 ' A' ' 82' ' ' LEU . 8.0 p80 -55.56 -50.68 69.39 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.88 -179.145 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.52 HD23 ' NE2' ' A' ' 81' ' ' HIS . 0.3 OUTLIER -54.46 -23.41 15.97 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.717 0.294 . . . . 0.0 111.333 -179.603 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 23.2 mt -98.92 -25.39 14.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.821 0.343 . . . . 0.0 110.948 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 66.74 17.48 10.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.1 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 58.9 m-20 -131.53 178.61 6.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.707 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 5.1 p -103.83 106.57 17.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.02 0.438 . . . . 0.0 110.47 179.554 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.647 HD12 ' N ' ' A' ' 87' ' ' ILE . 3.1 mp -98.58 146.35 8.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.286 -179.508 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.04 168.35 17.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.659 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 42.3 m -104.53 -41.2 5.78 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.996 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.712 ' HB2' ' CE2' ' A' ' 103' ' ' PHE . . . -65.61 -35.41 80.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.172 -179.817 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.42 -14.79 62.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.447 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.475 HD12 ' CB ' ' A' ' 96' ' ' HIS . 5.9 pt -119.63 21.59 5.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.7 -0.227 . . . . 0.0 111.562 -179.78 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' CYS . . . . . 0.473 ' HA ' ' CE1' ' A' ' 96' ' ' HIS . 1.5 m -60.46 116.69 4.5 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.021 0.439 . . . . 0.0 110.91 179.613 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 118.27 -26.62 7.71 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.218 -179.635 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 5.3 mm100 -148.12 55.71 1.05 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.964 0.412 . . . . 0.0 110.817 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.475 ' CB ' HD12 ' A' ' 92' ' ' ILE . 2.0 p-80 -123.62 159.2 56.6 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.911 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.44 ' HD2' ' HB2' ' A' ' 96' ' ' HIS . 21.0 Cg_endo -60.94 170.41 4.77 Favored 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.547 2.164 . . . . 0.0 112.044 179.81 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 11.6 ttpt -56.03 -29.2 60.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.194 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -57.2 -36.68 71.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.167 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.436 ' HB2' ' CG ' ' A' ' 96' ' ' HIS . 96.1 m -94.28 21.82 6.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.98 179.818 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.42 ' HA ' ' HB2' ' A' ' 105' ' ' GLU . . . -74.55 -22.08 59.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.481 -179.833 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 22.8 p90 -72.28 -10.0 59.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.41 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.712 ' CE2' ' HB2' ' A' ' 90' ' ' ALA . 0.3 OUTLIER -98.0 -68.99 0.78 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.76 0.314 . . . . 0.0 110.798 -179.771 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 17.5 m -134.64 92.61 2.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.654 179.621 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.749 ' O ' HD23 ' A' ' 108' ' ' LEU . 1.1 mm-40 -154.56 -171.78 3.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.096 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -35.48 -37.95 0.1 Allowed 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.665 -179.716 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.04 126.33 37.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.91 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.749 HD23 ' O ' ' A' ' 105' ' ' GLU . 2.8 pp -177.11 -177.99 0.78 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.875 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.233 -0.889 . . . . 0.0 110.902 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.137 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.2 m -83.78 156.64 64.52 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 120.696 0.284 . . . . 0.0 110.906 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.488 ' HG2' ' CZ3' ' A' ' 67' ' ' TRP . 93.9 Cg_endo -80.83 1.69 9.11 Favored 'Trans proline' 0 N--CA 1.462 -0.365 0 C-N-CA 122.76 2.307 . . . . 0.0 112.702 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.488 ' CZ3' ' HG2' ' A' ' 66' ' ' PRO . 4.3 m95 -72.28 175.03 6.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.842 0.353 . . . . 0.0 110.913 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 30.4 t -146.36 153.88 41.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.825 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.8 tp -96.07 20.36 10.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.193 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 19.1 m -93.86 43.15 1.11 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.993 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 25.7 p -161.1 -179.62 7.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.8 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 30.5 mmt-85 -64.76 127.36 31.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.958 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.42 8.55 30.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.356 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -49.4 158.28 0.42 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.839 0.352 . . . . 0.0 111.247 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -75.69 -28.13 58.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.021 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -91.3 47.27 2.86 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.343 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.406 ' HG3' ' CB ' ' A' ' 88' ' ' SER . 0.0 OUTLIER -145.13 131.63 19.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.809 0.337 . . . . 0.0 110.824 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.469 ' CZ ' ' HB ' ' A' ' 87' ' ' ILE . 39.0 p90 -112.87 170.81 7.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.766 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.402 ' CD1' ' CE3' ' A' ' 67' ' ' TRP . 13.6 t80 -117.17 135.09 54.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.106 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.665 ' HB2' HD13 ' A' ' 87' ' ' ILE . 34.9 t0 -113.85 99.69 7.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.549 179.766 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 55.4 t60 -49.94 -53.28 27.22 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.715 -179.568 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.59 -28.29 3.35 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.871 0.367 . . . . 0.0 110.98 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 38.0 mt -98.34 -24.18 15.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.821 179.663 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 69.52 12.47 8.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.117 -179.753 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -122.75 174.98 6.78 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.514 179.689 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 3.3 m -104.08 98.98 8.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.613 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.665 HD13 ' HB2' ' A' ' 80' ' ' ASP . 3.6 mp -90.63 149.52 4.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.183 -179.746 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.406 ' CB ' ' HG3' ' A' ' 77' ' ' LYS . 0.5 OUTLIER -109.07 168.64 9.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.001 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 76.9 m -93.29 -35.15 13.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.658 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.752 ' HB2' ' CE2' ' A' ' 103' ' ' PHE . . . -70.55 -30.68 67.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.4 m -69.7 -16.98 63.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.132 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.777 HD12 ' HB3' ' A' ' 96' ' ' HIS . 0.5 OUTLIER -108.21 -85.89 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.231 179.821 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 93' ' ' CYS . . . . . 0.433 ' H ' HG13 ' A' ' 92' ' ' ILE . 1.6 m 57.39 116.75 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.094 0.473 . . . . 0.0 111.654 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 110.62 -38.62 3.22 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.946 179.646 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 65.7 mm-40 -138.63 43.67 2.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.921 0.391 . . . . 0.0 111.0 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.777 ' HB3' HD12 ' A' ' 92' ' ' ILE . 2.0 p-80 -104.96 160.89 24.44 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.0 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -60.01 172.86 2.08 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.49 2.126 . . . . 0.0 111.937 179.632 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.35 -20.59 64.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.169 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.413 ' O ' ' CE2' ' A' ' 102' ' ' TYR . 1.3 pt20 -67.39 -39.17 85.57 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.325 -179.773 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 59.0 m -87.87 13.6 10.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.463 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.45 ' HA ' ' HB2' ' A' ' 105' ' ' GLU . . . -64.94 -16.05 62.86 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.59 0.233 . . . . 0.0 111.616 -179.77 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.413 ' CE2' ' O ' ' A' ' 99' ' ' GLN . 10.5 p90 -80.41 -0.94 39.28 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.741 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.752 ' CE2' ' HB2' ' A' ' 90' ' ' ALA . 0.8 OUTLIER -103.95 -68.29 0.85 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.811 0.339 . . . . 0.0 110.846 -179.897 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 72.2 m -130.29 81.45 2.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.588 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.45 ' HB2' ' HA ' ' A' ' 101' ' ' ALA . 3.0 mt-10 -166.01 -172.24 2.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.948 0.404 . . . . 0.0 111.47 -179.748 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -41.75 -45.18 3.46 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.379 -179.82 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -59.65 -60.48 3.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.965 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.538 HD13 ' N ' ' A' ' 109' ' ' ARG . 0.2 OUTLIER -127.35 136.08 51.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 179.938 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.538 ' N ' HD13 ' A' ' 108' ' ' LEU . 1.6 mpt_? . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.886 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.22 0 N-CA-C 112.43 -0.268 . . . . 0.0 112.43 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.3 m -124.23 127.96 25.17 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 120.569 0.224 . . . . 0.0 110.869 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -60.53 -57.18 0.75 Allowed 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.46 2.107 . . . . 0.0 112.42 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 26.3 m-90 -101.11 -178.43 3.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.99 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -151.7 89.78 1.5 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.762 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.729 HD12 ' N ' ' A' ' 70' ' ' SER . 4.2 pp -105.2 -46.29 4.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.066 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.729 ' N ' HD12 ' A' ' 69' ' ' LEU . 0.3 OUTLIER -172.2 124.35 0.51 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.966 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 5.9 t -163.16 149.7 12.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.56 161.29 20.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.862 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.43 -12.35 59.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.385 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.73 134.88 41.95 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.821 0.343 . . . . 0.0 111.091 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.43 -39.22 92.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.709 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -73.87 74.15 1.18 Allowed Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.408 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.9 mttm -159.6 166.01 31.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.884 0.373 . . . . 0.0 110.893 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.493 ' HE2' HD11 ' A' ' 92' ' ' ILE . 33.6 p90 -163.52 171.12 16.31 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.832 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.409 ' HA ' ' HA ' ' A' ' 86' ' ' CYS . 6.7 t80 -115.29 133.29 56.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.914 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.66 ' CB ' HD13 ' A' ' 87' ' ' ILE . 57.5 t0 -109.27 130.33 55.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.758 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 54.5 p-80 -73.11 -49.78 26.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.601 -179.378 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.71 -21.67 42.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.209 -179.763 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 45.2 mt -104.75 -25.05 12.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.013 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 66.99 15.63 10.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.961 -179.812 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -124.32 176.85 6.18 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.863 0.363 . . . . 0.0 110.724 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' CYS . . . . . 0.409 ' HA ' ' HA ' ' A' ' 79' ' ' TYR . 2.7 t -103.92 91.91 4.18 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.377 179.644 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.66 HD13 ' CB ' ' A' ' 80' ' ' ASP . 3.9 mp -81.12 152.48 4.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.211 -179.59 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -99.32 168.24 10.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.084 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 95.9 m -94.31 -38.07 11.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.853 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.693 ' HB2' ' CZ ' ' A' ' 103' ' ' PHE . . . -57.01 -45.43 83.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.434 -179.68 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -63.31 -16.76 61.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.459 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.493 HD11 ' HE2' ' A' ' 78' ' ' PHE . 16.4 pt -121.34 24.48 4.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 N-CA-C 111.746 0.276 . . . . 0.0 111.746 -179.716 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' CYS . . . . . 0.461 ' HA ' ' CE1' ' A' ' 96' ' ' HIS . 1.6 m -63.37 120.07 10.9 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.94 0.4 . . . . 0.0 111.013 179.758 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 120.04 -41.19 2.01 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.386 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -137.93 62.01 1.58 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.971 0.415 . . . . 0.0 110.671 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.461 ' CE1' ' HA ' ' A' ' 93' ' ' CYS . 1.7 p-80 -126.32 163.09 42.37 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.912 -179.811 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.408 ' HD2' ' HB2' ' A' ' 96' ' ' HIS . 53.4 Cg_exo -52.85 176.89 0.06 OUTLIER 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.579 2.186 . . . . 0.0 112.122 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 9.3 ttpt -70.28 -31.03 68.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.991 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.433 ' O ' ' CE2' ' A' ' 102' ' ' TYR . 0.6 OUTLIER -59.75 -31.9 70.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.062 -179.778 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 20.8 m -90.8 25.94 2.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.024 179.711 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.517 ' HA ' ' HB2' ' A' ' 105' ' ' GLU . . . -78.74 -30.54 45.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.908 0.385 . . . . 0.0 111.281 -179.768 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.433 ' CE2' ' O ' ' A' ' 99' ' ' GLN . 11.4 p90 -61.09 -18.09 56.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.359 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.693 ' CZ ' ' HB2' ' A' ' 90' ' ' ALA . 0.5 OUTLIER -89.85 -69.71 0.71 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.753 0.311 . . . . 0.0 111.032 -179.516 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 37.6 m -132.65 92.08 3.01 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.618 179.681 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.553 ' H ' HD23 ' A' ' 108' ' ' LEU . 0.2 OUTLIER -166.47 -172.0 2.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.988 0.423 . . . . 0.0 111.281 -179.785 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -40.35 -53.51 2.57 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.275 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.5 120.74 43.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.553 HD23 ' H ' ' A' ' 105' ' ' GLU . 2.4 pp -149.98 35.28 0.67 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.909 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.243 -0.884 . . . . 0.0 110.855 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.172 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 62.2 m -117.13 82.06 13.57 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 120.73 0.3 . . . . 0.0 110.933 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.461 ' HB2' ' CE3' ' A' ' 67' ' ' TRP . 68.7 Cg_endo -75.31 -47.48 0.19 Allowed 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.481 2.121 . . . . 0.0 112.44 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.461 ' CE3' ' HB2' ' A' ' 66' ' ' PRO . 16.6 m-90 -131.92 -47.61 0.94 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.78 0.324 . . . . 0.0 111.099 179.743 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.4 t -54.65 164.02 0.83 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.192 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.51 -56.28 3.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.97 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -155.58 161.03 40.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.939 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 1.9 m -148.38 -176.38 5.28 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 6.8 mmt180 -59.41 159.43 8.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.011 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.73 -7.64 58.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.511 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.89 123.63 14.92 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.87 0.366 . . . . 0.0 111.063 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -74.77 -9.42 58.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.363 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -88.42 11.98 66.31 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.594 -0.812 . . . . 0.0 112.773 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 10.9 mttt -109.76 146.01 35.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.896 0.379 . . . . 0.0 110.958 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.498 ' CE1' ' HB ' ' A' ' 87' ' ' ILE . 10.3 p90 -123.07 176.85 5.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -116.89 109.66 17.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.738 179.687 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.66 ' HB2' HD13 ' A' ' 87' ' ' ILE . 31.6 t0 -90.47 113.82 25.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.715 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 15.0 p80 -55.31 -48.78 73.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.704 -179.426 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.3 pp -57.63 -19.87 29.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.734 0.302 . . . . 0.0 111.406 -179.645 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.487 HD12 HG12 ' A' ' 87' ' ' ILE . 46.7 mt -104.72 -23.43 13.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.075 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 3.3 mpp_? 63.46 18.0 10.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 -179.562 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 52.8 m-20 -132.22 -179.33 5.36 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.746 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 13.6 p -103.85 107.19 17.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.988 0.423 . . . . 0.0 110.496 179.74 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.66 HD13 ' HB2' ' A' ' 80' ' ' ASP . 3.0 mp -101.47 153.49 4.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.355 -179.476 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -93.07 168.67 10.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.592 179.817 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 56.1 m -108.81 -29.59 8.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.073 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.881 ' HB2' ' CE2' ' A' ' 103' ' ' PHE . . . -82.33 -15.39 53.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.638 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 80.5 p -91.53 -21.59 20.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.678 -0.237 . . . . 0.0 111.563 -179.684 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.467 HD12 ' CB ' ' A' ' 96' ' ' HIS . 5.6 pt -111.09 24.43 3.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 111.649 0.24 . . . . 0.0 111.649 -179.621 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' CYS . . . . . 0.453 ' HA ' ' CE1' ' A' ' 96' ' ' HIS . 1.6 m -59.73 116.64 4.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.998 0.428 . . . . 0.0 110.868 179.689 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 120.22 -33.07 4.67 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.917 -0.659 . . . . 0.0 112.211 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -143.72 60.16 1.38 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.977 0.418 . . . . 0.0 110.618 179.777 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.467 ' CB ' HD12 ' A' ' 92' ' ' ILE . 1.8 p-80 -125.62 159.68 59.59 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.013 -179.645 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.445 ' HD2' ' HB2' ' A' ' 96' ' ' HIS . 19.2 Cg_endo -58.61 176.58 0.4 Allowed 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.537 2.158 . . . . 0.0 112.178 179.749 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.52 -24.25 67.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.202 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -63.57 -36.0 82.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.776 0.322 . . . . 0.0 111.162 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 96.0 m -95.06 24.88 4.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.073 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -78.28 -27.34 47.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.798 0.333 . . . . 0.0 111.33 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 25.7 p90 -65.7 -14.94 62.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.386 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.881 ' CE2' ' HB2' ' A' ' 90' ' ' ALA . 0.5 OUTLIER -90.38 -69.92 0.7 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.639 0.257 . . . . 0.0 111.127 -179.692 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 34.9 m -129.86 87.94 2.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.935 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -166.34 -172.96 2.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.861 0.363 . . . . 0.0 111.04 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -51.97 -30.79 26.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.004 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.1 mtmt -67.55 -57.11 7.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.822 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -122.14 103.15 8.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 34.6 mtm-85 . . . . . 0 C--O 1.25 1.079 0 CA-C-O 118.18 -0.914 . . . . 0.0 110.93 179.972 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.229 0 N-CA-C 112.541 -0.224 . . . . 0.0 112.541 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 83.6 p -76.74 121.46 84.85 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 120.588 0.233 . . . . 0.0 110.865 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.437 ' HB2' ' CE3' ' A' ' 67' ' ' TRP . 52.1 Cg_exo -54.71 -62.08 0.33 Allowed 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.467 2.111 . . . . 0.0 112.296 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.437 ' CE3' ' HB2' ' A' ' 66' ' ' PRO . 30.2 m-90 -86.19 168.62 13.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.98 -179.8 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 11.4 t -91.18 -19.05 23.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.168 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 36.8 mt -80.62 0.38 34.37 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.525 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 16.2 t -54.54 154.17 5.04 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.914 0.388 . . . . 0.0 111.018 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -120.13 129.08 54.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.825 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.6 mmt85 -118.13 99.82 7.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.993 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -86.87 -30.02 21.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.854 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -136.76 -172.44 3.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.842 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -93.07 -28.44 16.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.918 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -100.42 62.56 0.63 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.668 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.8 mtpt -131.06 164.98 24.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.742 0.306 . . . . 0.0 110.714 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.494 ' CE1' ' HB ' ' A' ' 87' ' ' ILE . 2.4 p90 -138.24 172.54 12.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.962 0.41 . . . . 0.0 111.03 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -113.6 122.31 46.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.772 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.701 ' HB2' HD13 ' A' ' 87' ' ' ILE . 24.9 t0 -100.81 106.59 18.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.753 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 23.0 p-80 -56.25 -46.2 79.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.366 -179.624 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.8 pp -56.22 -22.65 30.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.235 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 58.0 mt -104.27 -24.58 13.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.066 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.1 mtt-85 67.73 14.01 9.38 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.052 -179.704 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -125.64 -178.93 4.42 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.756 0.312 . . . . 0.0 110.724 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 28.9 p -103.69 112.7 25.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.014 0.435 . . . . 0.0 110.618 179.673 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.701 HD13 ' HB2' ' A' ' 80' ' ' ASP . 2.7 mp -110.32 158.69 10.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.385 -179.418 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.484 ' N ' HG22 ' A' ' 87' ' ' ILE . 0.6 OUTLIER -94.27 162.39 13.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.707 179.839 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 89' ' ' CYS . . . . . 0.462 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 77.8 m -94.06 -30.7 14.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.811 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.422 ' HB2' ' CZ ' ' A' ' 103' ' ' PHE . . . -58.06 -54.43 47.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.48 -179.857 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 69.9 m -57.08 -22.39 39.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.596 -179.571 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.444 HD12 ' CB ' ' A' ' 96' ' ' HIS . 25.1 pt -112.01 27.73 2.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 111.699 0.259 . . . . 0.0 111.699 -179.628 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.7 m -63.95 126.19 26.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.82 0.343 . . . . 0.0 110.705 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 101.11 -30.68 9.84 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.481 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -135.95 57.88 1.77 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.861 0.362 . . . . 0.0 110.982 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.444 ' CB ' HD12 ' A' ' 92' ' ' ILE . 27.5 p-80 -123.29 156.75 63.06 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.885 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -64.3 175.31 3.42 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.61 2.206 . . . . 0.0 112.405 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 4.5 ttpt -59.86 -29.85 68.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.026 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.414 ' O ' ' CE2' ' A' ' 102' ' ' TYR . 5.8 tp-100 -54.97 -39.9 69.46 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.959 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 52.0 m -91.6 25.97 2.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.854 179.707 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.541 ' HA ' ' HB2' ' A' ' 105' ' ' GLU . . . -69.5 -14.93 63.13 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.479 -179.858 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.414 ' CE2' ' O ' ' A' ' 99' ' ' GLN . 35.2 p90 -91.16 -0.63 57.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.873 -179.45 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.462 ' CD2' ' HB2' ' A' ' 89' ' ' CYS . 2.9 t80 -102.73 -72.49 0.69 Allowed 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 111.764 0.283 . . . . 0.0 111.764 -179.099 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 14.2 m -122.63 51.68 1.38 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.85 0.357 . . . . 0.0 111.071 -179.427 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.541 ' HB2' ' HA ' ' A' ' 101' ' ' ALA . 0.6 OUTLIER -140.8 -171.83 3.33 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.021 -179.775 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.559 ' O ' ' HG2' ' A' ' 107' ' ' LYS . 3.5 p-10 -60.89 74.52 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.254 -179.78 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.559 ' HG2' ' O ' ' A' ' 106' ' ' ASN . 0.0 OUTLIER -178.56 -52.43 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.676 179.922 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -124.48 128.43 48.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.946 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.201 -0.904 . . . . 0.0 110.907 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.14 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.2 144.73 38.56 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 120.682 0.277 . . . . 0.0 110.909 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -68.04 -42.35 6.22 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.554 2.169 . . . . 0.0 112.27 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 19.4 m-90 -119.65 -178.17 3.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.964 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 30.0 t -149.67 -44.22 0.14 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.022 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -94.15 20.4 8.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.265 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.6 m -88.57 -57.44 2.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.798 0.332 . . . . 0.0 111.106 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 25.0 p -141.96 114.85 8.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.857 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -118.29 95.7 5.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.885 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.4 mtmt -94.14 -56.47 2.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.838 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -149.39 -174.82 4.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -80.16 -3.46 49.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.348 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -119.21 26.44 7.41 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.625 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 5.3 mptt -110.95 133.01 53.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.814 0.34 . . . . 0.0 110.838 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.512 ' HE2' HD11 ' A' ' 92' ' ' ILE . 32.6 p90 -123.23 169.97 10.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.927 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -117.24 124.11 48.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.032 179.688 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.739 ' HB2' HD13 ' A' ' 87' ' ' ILE . 27.5 t0 -97.49 102.14 13.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.715 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 49.6 p-80 -56.29 -47.72 78.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.443 -179.475 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.2 pp -54.46 -23.26 15.4 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.229 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 49.5 mt -102.64 -24.34 13.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.062 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 72.1 10.49 6.04 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.087 -179.6 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -121.91 176.1 5.95 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.687 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 57.1 m -103.83 105.85 16.19 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.481 179.543 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.739 HD13 ' HB2' ' A' ' 80' ' ' ASP . 2.7 mp -99.22 146.79 7.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.223 -179.449 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.21 168.81 10.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.974 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 57.7 m -93.32 -30.49 15.11 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.988 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.424 ' HB2' ' HE2' ' A' ' 103' ' ' PHE . . . -69.16 -37.37 78.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.471 -179.665 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.71 -12.01 61.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.613 -179.661 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.512 HD11 ' HE2' ' A' ' 78' ' ' PHE . 9.5 pt -126.31 26.07 2.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.68 0.276 . . . . 0.0 111.614 -179.702 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.7 m -58.41 116.86 3.9 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.788 0.328 . . . . 0.0 110.865 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 115.71 -47.18 1.06 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.408 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 -124.2 64.07 1.08 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.902 0.382 . . . . 0.0 110.74 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.485 ' CG ' ' HB2' ' A' ' 100' ' ' CYS . 1.9 p-80 -132.41 163.88 47.39 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.192 -179.724 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -58.78 -176.85 0.1 OUTLIER 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.698 2.266 . . . . 0.0 112.439 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.68 -31.55 70.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.045 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -58.98 -25.44 63.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.06 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.485 ' HB2' ' CG ' ' A' ' 96' ' ' HIS . 92.4 m -106.18 0.67 25.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.356 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.405 ' HA ' ' HG3' ' A' ' 105' ' ' GLU . . . -52.65 -67.2 0.27 Allowed 'General case' 0 C--O 1.231 0.11 0 CA-C-O 120.921 0.391 . . . . 0.0 111.529 -179.675 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.434 ' HA ' ' HB2' ' A' ' 106' ' ' ASN . 27.8 p90 -48.48 -24.31 1.24 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.796 -179.756 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.424 ' HE2' ' HB2' ' A' ' 90' ' ' ALA . 4.0 t80 -58.27 -61.91 2.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.914 -179.242 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 2.1 m -122.02 -39.73 2.58 Favored 'General case' 0 N--CA 1.463 0.18 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 -178.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.405 ' HG3' ' HA ' ' A' ' 101' ' ' ALA . 1.9 pt-20 -105.62 106.52 17.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.136 0.493 . . . . 0.0 111.529 -179.346 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.434 ' HB2' ' HA ' ' A' ' 102' ' ' TYR . 0.6 OUTLIER -179.6 -41.62 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.874 179.782 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.57 26.19 0.84 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.047 179.349 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' A' ' 108' ' ' LEU . 19.8 mt -137.03 22.58 3.04 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.105 -179.686 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.252 -0.88 . . . . 0.0 110.84 180.0 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.222 0 N-CA-C 112.571 -0.212 . . . . 0.0 112.571 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -152.74 164.03 21.62 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 120.671 0.272 . . . . 0.0 110.908 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.451 ' HB2' ' CE3' ' A' ' 67' ' ' TRP . 55.1 Cg_endo -69.62 -48.37 0.76 Allowed 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.526 2.15 . . . . 0.0 112.514 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.451 ' CE3' ' HB2' ' A' ' 66' ' ' PRO . 20.3 m-90 -127.35 64.08 1.34 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.861 179.764 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 29.0 t -99.67 94.07 6.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.92 0.39 . . . . 0.0 111.12 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -95.9 -43.76 7.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.587 179.748 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.93 66.58 0.06 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.715 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 3.1 m -107.49 -176.36 3.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.7 mpt_? -67.59 134.32 51.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.9 mmtp -94.0 3.79 54.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.47 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -60.66 167.9 2.48 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.799 0.333 . . . . 0.0 110.852 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -93.07 -20.74 20.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.213 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -92.58 40.44 2.86 Favored Glycine 0 C--N 1.331 0.277 0 C-N-CA 120.623 -0.798 . . . . 0.0 112.677 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 88' ' ' SER . 12.8 mttt -141.93 155.13 45.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.821 0.343 . . . . 0.0 110.866 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.467 ' CE1' ' HB ' ' A' ' 87' ' ' ILE . 1.4 p90 -140.47 173.58 11.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.008 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -117.25 123.18 45.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.951 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.553 ' HB2' HD13 ' A' ' 87' ' ' ILE . 47.2 t0 -99.39 112.01 24.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.73 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 10.9 p80 -57.79 -53.67 55.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.557 -179.556 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.9 pp -48.94 -27.47 3.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.791 0.329 . . . . 0.0 111.209 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 21.7 mt -96.37 -24.27 16.23 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.838 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 67.52 16.65 9.96 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 -179.713 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -130.89 176.79 7.93 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.556 179.782 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 4.9 m -103.73 117.89 35.43 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.955 0.407 . . . . 0.0 110.406 179.579 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.553 HD13 ' HB2' ' A' ' 80' ' ' ASP . 3.6 mp -113.63 159.93 13.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.366 -179.393 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.486 ' N ' HG22 ' A' ' 87' ' ' ILE . 0.3 OUTLIER -94.54 163.15 13.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.979 -179.914 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 89' ' ' CYS . . . . . 0.406 ' HA ' ' CG1' ' A' ' 92' ' ' ILE . 64.2 m -93.61 -46.2 7.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.826 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.732 ' HB2' ' CE2' ' A' ' 103' ' ' PHE . . . -56.13 -25.51 46.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.323 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 20.6 t -88.86 5.65 42.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.535 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.674 HD11 ' SG ' ' A' ' 100' ' ' CYS . 13.3 pt -135.88 21.91 0.95 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.151 0 N-CA-C 111.647 0.24 . . . . 0.0 111.647 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.7 m -60.05 116.39 4.13 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.911 0.386 . . . . 0.0 110.625 179.701 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 116.76 -37.99 3.17 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 121.015 -0.612 . . . . 0.0 112.054 -179.484 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -132.36 62.36 1.65 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.866 0.365 . . . . 0.0 110.618 179.788 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.466 ' HB2' ' HD2' ' A' ' 97' ' ' PRO . 9.3 p-80 -132.06 159.55 71.63 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.197 -179.635 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.466 ' HD2' ' HB2' ' A' ' 96' ' ' HIS . 56.7 Cg_endo -71.22 169.53 20.45 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.481 2.12 . . . . 0.0 112.146 179.727 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 6.8 ttpt -50.17 -27.33 5.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.461 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.11 -40.75 81.98 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.126 -179.73 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.674 ' SG ' HD11 ' A' ' 92' ' ' ILE . 92.1 m -93.93 25.02 3.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.864 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.65 -16.87 59.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.59 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 23.7 p90 -79.42 -1.39 37.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.516 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.732 ' CE2' ' HB2' ' A' ' 90' ' ' ALA . 0.5 OUTLIER -104.94 -68.81 0.84 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.785 0.326 . . . . 0.0 110.84 -179.692 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 55.6 m -132.26 85.78 2.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.536 179.676 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -150.28 -172.8 4.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.006 0.432 . . . . 0.0 111.171 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -56.56 -49.21 75.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.297 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.684 ' HD2' HD23 ' A' ' 108' ' ' LEU . 0.0 OUTLIER -58.11 -29.92 65.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.158 -179.772 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.684 HD23 ' HD2' ' A' ' 107' ' ' LYS . 0.5 OUTLIER -113.56 -166.19 1.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.831 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 10.6 tpp180 . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.912 -179.927 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.21 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 69.1 m -127.81 128.2 23.89 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 120.533 0.206 . . . . 0.0 110.882 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.471 ' HG2' ' CE3' ' A' ' 67' ' ' TRP . 36.4 Cg_endo -65.23 -42.29 13.92 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.479 2.119 . . . . 0.0 112.312 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.471 ' CE3' ' HG2' ' A' ' 66' ' ' PRO . 16.9 p90 -121.22 135.61 55.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -175.15 -64.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.7 mp -106.03 -6.1 18.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.304 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 20.3 t -57.25 -38.25 73.55 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.726 0.298 . . . . 0.0 111.093 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 1.8 m -145.65 179.0 7.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.068 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.8 mmm180 -97.12 176.58 5.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.955 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.5 mttm -68.88 -8.13 41.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.611 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -44.38 132.24 6.05 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 120.806 0.336 . . . . 0.0 111.361 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -76.53 -27.1 55.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.111 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -54.19 -38.81 62.35 Favored Glycine 0 C--N 1.33 0.218 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.659 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 12.3 mttm -100.27 174.28 6.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.741 0.305 . . . . 0.0 110.787 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.497 ' CZ ' ' HB ' ' A' ' 87' ' ' ILE . 34.7 p90 -159.16 168.18 27.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.945 0.402 . . . . 0.0 111.201 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.438 ' CD2' ' HB3' ' A' ' 67' ' ' TRP . 3.7 t80 -117.59 129.73 55.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.699 179.729 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.601 ' HB2' HD13 ' A' ' 87' ' ' ILE . 39.6 t0 -108.09 114.67 28.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.717 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 28.2 p-80 -58.65 -48.36 81.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.409 -179.5 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.408 HD12 HD23 ' A' ' 83' ' ' LEU . 2.4 pp -55.79 -23.45 30.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.775 0.321 . . . . 0.0 111.134 -179.828 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.483 HD12 HG12 ' A' ' 87' ' ' ILE . 33.4 mt -99.96 -24.01 14.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.026 179.794 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 66.85 15.4 10.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.08 -179.654 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -131.74 178.25 6.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.579 179.722 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 47.8 t -103.59 103.87 13.86 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.979 0.418 . . . . 0.0 110.276 179.66 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.627 ' N ' HD12 ' A' ' 87' ' ' ILE . 3.4 mp -93.33 126.69 45.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.421 -179.345 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.401 ' O ' HG12 ' A' ' 92' ' ' ILE . 0.5 OUTLIER -85.43 168.47 14.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.772 179.844 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 68.9 m -94.71 -40.91 9.54 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.947 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.946 ' HB2' ' CZ ' ' A' ' 103' ' ' PHE . . . -68.32 -32.52 72.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.508 -179.604 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 67.0 m -80.15 -5.56 56.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.742 -179.619 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.552 HD11 ' SG ' ' A' ' 100' ' ' CYS . 45.5 pt -120.62 28.22 3.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 111.68 0.252 . . . . 0.0 111.68 -179.675 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 2.9 m -51.53 154.36 1.91 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.822 0.344 . . . . 0.0 110.43 179.666 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 76.13 -57.18 3.2 Favored Glycine 0 CA--C 1.519 0.328 0 C-N-CA 120.734 -0.746 . . . . 0.0 113.225 179.588 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -113.23 78.12 1.11 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.88 0.371 . . . . 0.0 111.219 -179.477 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.496 ' CE1' ' HB2' ' A' ' 104' ' ' CYS . 9.2 p-80 -132.64 159.7 71.39 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.042 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -72.28 -177.44 2.69 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.386 2.057 . . . . 0.0 111.984 179.549 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 19.8 ttpt -66.17 -26.73 67.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.054 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.442 ' O ' ' CE2' ' A' ' 102' ' ' TYR . 0.8 OUTLIER -59.9 -54.03 50.88 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.06 -179.784 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.552 ' SG ' HD11 ' A' ' 92' ' ' ILE . 89.0 m -77.75 4.08 12.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.597 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.503 ' HA ' ' HB2' ' A' ' 105' ' ' GLU . . . -50.78 -23.71 2.93 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.871 0.367 . . . . 0.0 111.584 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.442 ' CE2' ' O ' ' A' ' 99' ' ' GLN . 10.1 p90 -82.28 -0.53 45.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.861 -179.59 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.946 ' CZ ' ' HB2' ' A' ' 90' ' ' ALA . 1.5 t80 -101.47 -72.62 0.68 Allowed 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -179.179 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' CYS . . . . . 0.496 ' HB2' ' CE1' ' A' ' 96' ' ' HIS . 1.0 OUTLIER -115.79 43.73 2.05 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.559 0.219 . . . . 0.0 111.146 -179.061 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.737 ' O ' HD23 ' A' ' 108' ' ' LEU . 2.9 tt0 -128.5 -171.84 2.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.046 0.451 . . . . 0.0 111.774 -179.465 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -35.47 -58.23 0.59 Allowed 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 115.383 -0.826 . . . . 0.0 112.164 -179.539 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.421 ' HE2' ' HB2' ' A' ' 102' ' ' TYR . 0.0 OUTLIER -82.76 131.15 35.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.878 0.37 . . . . 0.0 110.882 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.737 HD23 ' O ' ' A' ' 105' ' ' GLU . 3.7 pp -173.15 -178.18 1.71 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.906 -179.769 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.23 -0.891 . . . . 0.0 110.925 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.249 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 17.4 t -122.29 96.27 46.37 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 120.614 0.245 . . . . 0.0 110.889 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.522 ' HG2' ' CZ3' ' A' ' 67' ' ' TRP . 72.1 Cg_endo -77.0 -3.15 13.44 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.476 2.118 . . . . 0.0 112.648 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.522 ' CZ3' ' HG2' ' A' ' 66' ' ' PRO . 3.5 m95 -70.22 117.92 12.38 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.667 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 16.9 p -173.11 -66.05 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.898 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -94.84 20.37 8.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.1 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 66.9 m -55.34 168.36 0.37 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.88 0.372 . . . . 0.0 111.11 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 1.1 p -119.23 118.43 31.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.78 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 4.7 ptp180 -109.45 97.04 6.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.013 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.7 mttm -66.69 -31.41 72.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.795 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -158.88 -179.04 7.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.881 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -76.64 -26.8 55.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.027 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -100.31 63.74 0.61 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.689 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -142.38 173.71 11.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.654 0.264 . . . . 0.0 110.796 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.558 ' CD1' ' NE2' ' A' ' 99' ' ' GLN . 26.1 p90 -141.24 165.27 27.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.939 0.4 . . . . 0.0 111.188 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -117.5 115.45 25.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.65 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.76 ' HB2' HD13 ' A' ' 87' ' ' ILE . 35.4 t0 -84.04 118.6 24.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.974 0.416 . . . . 0.0 110.635 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 9.1 p80 -63.22 -50.19 71.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.76 -179.294 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.76 -18.81 46.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.812 -179.278 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.467 ' HB2' ' HB3' ' A' ' 80' ' ' ASP . 53.1 mt -101.99 -24.24 14.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.609 0.242 . . . . 0.0 111.38 -179.839 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 65.14 16.89 10.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.743 -179.345 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -126.17 -178.85 4.46 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.583 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 2.6 p -106.04 111.85 24.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.959 0.409 . . . . 0.0 110.73 179.695 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.76 HD13 ' HB2' ' A' ' 80' ' ' ASP . 3.0 mp -112.46 146.88 16.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.151 -179.769 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.2 m -100.19 165.61 11.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.853 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 97.6 m -93.98 -46.78 7.0 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.521 ' HB2' ' CZ ' ' A' ' 103' ' ' PHE . . . -52.7 -32.58 43.41 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.403 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 70.4 m -78.68 -4.24 48.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.406 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 10.9 pt -135.95 21.41 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.748 -0.206 . . . . 0.0 111.552 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' CYS . . . . . 0.477 ' HA ' ' CE1' ' A' ' 96' ' ' HIS . 1.5 m -61.49 117.07 5.24 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.926 0.393 . . . . 0.0 111.142 179.821 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 120.0 -34.97 3.97 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.302 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -140.6 58.69 1.56 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.064 0.459 . . . . 0.0 110.594 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.477 ' CE1' ' HA ' ' A' ' 93' ' ' CYS . 1.9 p-80 -126.92 164.07 37.43 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.006 -179.664 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -58.79 168.12 4.63 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.484 2.123 . . . . 0.0 112.091 179.703 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.69 -28.03 65.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.113 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.558 ' NE2' ' CD1' ' A' ' 78' ' ' PHE . 8.2 pt20 -59.28 -30.88 68.63 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.158 -179.778 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.408 ' SG ' ' CE2' ' A' ' 78' ' ' PHE . 21.8 m -93.35 25.91 3.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.984 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.492 ' HA ' ' HB2' ' A' ' 105' ' ' GLU . . . -76.38 -32.55 58.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.543 -179.657 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 40.1 p90 -63.66 -15.71 59.04 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.447 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.521 ' CZ ' ' HB2' ' A' ' 90' ' ' ALA . 0.3 OUTLIER -94.75 -61.14 1.55 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.72 0.295 . . . . 0.0 110.958 -179.67 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 18.8 m -144.46 95.39 2.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.983 179.738 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.492 ' HB2' ' HA ' ' A' ' 101' ' ' ALA . 0.0 OUTLIER -150.36 -172.16 4.1 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.028 0.442 . . . . 0.0 111.546 179.901 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -38.81 -66.92 0.24 Allowed 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.535 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.1 pttm -94.97 53.84 1.62 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.939 0.4 . . . . 0.0 110.961 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -173.13 111.73 0.21 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.983 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.281 -0.866 . . . . 0.0 110.923 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.174 0 N-CA-C 112.531 -0.228 . . . . 0.0 112.531 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -158.65 87.42 2.29 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 120.749 0.309 . . . . 0.0 110.848 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.489 ' HB2' ' CE3' ' A' ' 67' ' ' TRP . 32.4 Cg_exo -57.5 -64.42 0.12 Allowed 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.624 2.216 . . . . 0.0 112.346 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.489 ' CE3' ' HB2' ' A' ' 66' ' ' PRO . 9.9 m-90 -101.37 -51.59 3.45 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.989 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.6 t -56.25 138.13 50.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.085 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.5 mt -102.69 -40.82 6.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.944 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.2 t -148.59 168.48 22.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.993 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 4.4 t -142.71 165.39 27.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.409 ' HB3' ' NH1' ' A' ' 72' ' ' ARG . 0.5 OUTLIER -57.92 173.71 0.3 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.916 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.2 -16.34 63.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.346 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -52.16 112.18 0.75 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.846 0.355 . . . . 0.0 111.034 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -70.64 -45.09 65.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -72.83 75.63 0.88 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.473 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 19.3 mttt -145.24 152.14 39.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.895 0.378 . . . . 0.0 110.901 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.473 ' CE1' ' HB ' ' A' ' 87' ' ' ILE . 4.0 p90 -127.54 -177.33 4.05 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.807 179.753 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -116.97 118.23 31.86 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.942 0.401 . . . . 0.0 111.096 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.806 ' HB2' HD13 ' A' ' 87' ' ' ILE . 7.4 t0 -102.36 98.04 8.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.391 179.65 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.589 ' CD2' HD23 ' A' ' 82' ' ' LEU . 5.9 p80 -46.95 -48.04 21.61 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.673 -179.367 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.589 HD23 ' CD2' ' A' ' 81' ' ' HIS . 0.2 OUTLIER -52.36 -25.24 9.24 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.875 0.369 . . . . 0.0 110.879 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.433 HD12 HG12 ' A' ' 87' ' ' ILE . 33.6 mt -104.43 -21.43 13.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.803 179.724 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.43 ' CG ' ' O ' ' A' ' 83' ' ' LEU . 0.1 OUTLIER 64.06 16.1 9.72 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.4 -179.622 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -126.9 -179.19 4.71 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.588 179.772 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 15.6 p -103.97 101.99 11.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.656 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.806 HD13 ' HB2' ' A' ' 80' ' ' ASP . 3.0 mp -95.87 159.17 2.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.118 -179.71 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.482 ' N ' HG22 ' A' ' 87' ' ' ILE . 0.2 OUTLIER -82.32 165.84 20.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.129 -179.908 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 90.4 m -102.49 -37.78 7.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.764 ' HB2' ' CZ ' ' A' ' 103' ' ' PHE . . . -54.43 -42.58 70.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.312 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 34.2 p -65.3 -15.78 62.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.414 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.492 HD11 ' SG ' ' A' ' 100' ' ' CYS . 14.3 pt -118.78 24.7 4.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.584 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.6 m -61.79 121.21 12.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.937 0.398 . . . . 0.0 110.833 179.714 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 108.13 -36.08 4.59 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.924 -0.655 . . . . 0.0 112.231 -179.747 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -131.9 59.26 1.71 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.845 0.355 . . . . 0.0 110.67 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.469 ' CD2' ' CB ' ' A' ' 100' ' ' CYS . 32.2 p-80 -129.52 157.07 77.53 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.944 -179.757 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.412 ' HD2' ' HB2' ' A' ' 96' ' ' HIS . 22.3 Cg_endo -61.31 -176.88 0.18 Allowed 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.607 2.204 . . . . 0.0 112.232 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.57 -38.5 87.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.083 -179.812 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.39 -36.27 42.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.123 -179.79 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.492 ' SG ' HD11 ' A' ' 92' ' ' ILE . 24.9 m -91.94 13.62 18.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.005 179.692 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -69.21 -16.1 63.54 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.748 0.309 . . . . 0.0 111.657 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 18.6 p90 -79.89 -0.75 36.21 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.637 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.764 ' CZ ' ' HB2' ' A' ' 90' ' ' ALA . 1.1 t80 -104.02 -68.57 0.84 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.752 0.311 . . . . 0.0 111.119 -179.792 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 86.6 m -127.61 75.07 1.57 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.932 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -155.53 -172.79 4.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.955 0.407 . . . . 0.0 111.12 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -49.33 -30.37 7.43 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.457 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 3.4 mmmt -60.57 -79.21 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.081 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -85.09 165.48 17.45 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.93 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.27 -0.871 . . . . 0.0 110.829 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 44.5 mttt . . . . . 0 C--O 1.233 0.202 0 CA-C-O 120.817 0.342 . . . . 0.0 111.057 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.494 ' CE1' ' HB ' ' A' ' 87' ' ' ILE . 3.2 p90 -165.13 167.41 18.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -112.94 116.37 29.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.833 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.921 ' HB2' HD13 ' A' ' 87' ' ' ILE . 2.0 t0 -88.89 104.91 17.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.583 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 26.3 t60 -51.55 -60.34 3.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.848 -179.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.524 ' H ' HD23 ' A' ' 82' ' ' LEU . 0.2 OUTLIER -46.81 -28.3 1.51 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.52 -179.491 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.434 ' HB2' ' HB3' ' A' ' 80' ' ' ASP . 76.4 mt -94.09 -28.13 15.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.923 0.392 . . . . 0.0 111.019 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 7.1 ttt-85 69.13 12.28 8.46 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.999 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -120.81 -179.36 3.98 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.602 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 7.8 p -103.73 109.91 21.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.38 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.921 HD13 ' HB2' ' A' ' 80' ' ' ASP . 2.6 mp -107.23 150.43 9.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.235 -179.337 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.22 168.32 11.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.918 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 75.1 m -108.0 -30.66 8.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.983 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.913 ' HB2' ' CZ ' ' A' ' 103' ' ' PHE . . . -74.81 -31.22 61.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.206 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.59 -24.81 60.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.153 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.523 HD12 ' CB ' ' A' ' 96' ' ' HIS . 11.3 pt -110.22 26.47 2.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.608 -179.737 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.6 m -60.84 123.89 18.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.946 0.403 . . . . 0.0 110.846 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 103.4 -28.65 14.72 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.24 -179.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -138.88 60.12 1.6 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.007 0.432 . . . . 0.0 110.599 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . 0.523 ' CB ' HD12 ' A' ' 92' ' ' ILE . 30.3 p-80 -132.12 157.06 79.24 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.107 -179.649 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.403 ' HD2' ' HB2' ' A' ' 96' ' ' HIS . 19.8 Cg_endo -58.45 -176.62 0.09 OUTLIER 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.603 2.202 . . . . 0.0 112.065 179.703 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.67 -34.11 75.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.25 -179.652 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.423 ' O ' ' CE2' ' A' ' 102' ' ' TYR . 0.0 OUTLIER -54.85 -37.5 66.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.3 -179.736 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . 0.452 ' CB ' ' CD2' ' A' ' 96' ' ' HIS . 35.3 m -90.92 14.93 12.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.388 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.403 ' HA ' ' HB2' ' A' ' 105' ' ' GLU . . . -68.19 -25.92 65.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.799 0.333 . . . . 0.0 111.404 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.423 ' CE2' ' O ' ' A' ' 99' ' ' GLN . 13.0 p90 -68.23 -10.77 56.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.586 -179.699 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.913 ' CZ ' ' HB2' ' A' ' 90' ' ' ALA . 1.0 OUTLIER -94.58 -69.23 0.76 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.701 0.286 . . . . 0.0 111.233 -179.756 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 76.2 m -126.97 79.48 1.88 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.116 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.403 ' HB2' ' HA ' ' A' ' 101' ' ' ALA . 3.2 mt-10 -166.27 -173.41 2.55 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.886 0.374 . . . . 0.0 111.098 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 7.8 p30 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.219 -179.908 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 27.5 mttt . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.784 0.326 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.484 ' HE2' HD11 ' A' ' 92' ' ' ILE . 36.7 p90 -118.64 169.64 9.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.763 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -117.19 130.88 56.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.857 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.69 ' HB2' HD13 ' A' ' 87' ' ' ILE . 38.3 t0 -104.92 121.07 42.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.645 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 56.2 p-80 -69.13 -49.14 59.69 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.682 -179.39 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -54.96 -23.07 17.32 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.661 0.267 . . . . 0.0 111.225 -179.792 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 24.1 mt -102.22 -25.12 13.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.965 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 69.43 15.8 8.31 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.005 -179.731 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -124.83 175.77 7.05 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.716 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 7.9 m -103.65 98.52 8.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.457 179.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.69 HD13 ' HB2' ' A' ' 80' ' ' ASP . 3.4 mp -89.07 123.96 41.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.31 -179.521 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.5 p -77.9 168.73 19.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.825 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 14.7 m -93.53 -43.36 8.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.91 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.858 ' HB2' ' CE2' ' A' ' 103' ' ' PHE . . . -64.84 -29.49 70.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.366 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 41.9 t -72.4 -16.52 61.84 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.507 -179.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.484 HD11 ' HE2' ' A' ' 78' ' ' PHE . 10.5 pt -118.4 25.37 4.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 N-CA-C 111.666 0.247 . . . . 0.0 111.666 -179.701 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.6 m -57.5 116.8 3.59 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.973 0.416 . . . . 0.0 111.02 179.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 122.72 -47.99 0.98 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.096 -179.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -130.55 65.1 1.54 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.025 0.441 . . . . 0.0 110.444 179.609 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . 0.457 ' HB2' ' HD2' ' A' ' 97' ' ' PRO . 1.9 p-80 -126.2 159.27 63.25 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.026 -179.554 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.457 ' HD2' ' HB2' ' A' ' 96' ' ' HIS . 20.5 Cg_endo -60.78 170.06 5.0 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.534 2.156 . . . . 0.0 112.245 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.2 -26.68 61.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.252 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.406 ' O ' ' CE2' ' A' ' 102' ' ' TYR . 1.3 tt0 -61.6 -35.83 78.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.444 -0.343 . . . . 0.0 111.182 -179.724 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . 0.437 ' HB2' ' CG ' ' A' ' 96' ' ' HIS . 81.2 m -94.53 24.42 4.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.171 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -78.22 -19.8 53.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.561 -0.291 . . . . 0.0 111.537 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.406 ' CE2' ' O ' ' A' ' 99' ' ' GLN . 28.1 p90 -76.3 -5.1 45.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.619 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.858 ' CE2' ' HB2' ' A' ' 90' ' ' ALA . 0.7 OUTLIER -100.65 -69.16 0.78 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.842 0.353 . . . . 0.0 111.05 -179.722 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 60.6 m -129.5 85.09 2.27 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.565 179.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -160.88 -172.84 3.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.024 0.44 . . . . 0.0 111.167 -179.82 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 4.0 p30 . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.34 -179.927 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.1 mttp . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.891 0.377 . . . . 0.0 110.727 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.427 ' CE1' ' HB ' ' A' ' 87' ' ' ILE . 34.1 p90 -132.48 172.21 12.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.073 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -117.12 121.05 40.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.721 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.702 ' HB2' HD13 ' A' ' 87' ' ' ILE . 43.9 t0 -93.42 120.01 33.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.622 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 8.1 p80 -66.96 -48.88 67.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.539 -179.381 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -57.11 -21.91 35.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.71 0.29 . . . . 0.0 111.31 -179.737 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.402 ' O ' ' HB2' ' A' ' 84' ' ' ARG . 32.1 mt -105.59 -23.29 12.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.089 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.402 ' HB2' ' O ' ' A' ' 83' ' ' LEU . 4.3 mmt180 66.7 16.73 10.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.957 -179.644 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -122.87 175.92 6.28 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.71 179.775 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 19.8 t -103.71 99.46 9.25 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.944 0.402 . . . . 0.0 110.57 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.702 HD13 ' HB2' ' A' ' 80' ' ' ASP . 3.1 mp -97.84 134.2 36.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.408 -179.343 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.2 m -91.62 168.81 11.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.571 179.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 23.7 m -93.46 -54.04 3.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.797 0.332 . . . . 0.0 110.904 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.875 ' HB2' ' CE2' ' A' ' 103' ' ' PHE . . . -55.09 -28.55 53.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.46 -179.762 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.34 -2.01 47.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.746 -179.689 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.424 ' CG1' ' HB3' ' A' ' 96' ' ' HIS . 6.1 pt -128.82 25.39 2.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 N-CA-C 111.79 0.292 . . . . 0.0 111.79 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.6 m -58.03 116.93 3.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.917 0.389 . . . . 0.0 110.893 179.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 118.71 -43.43 1.59 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.98 -0.629 . . . . 0.0 112.072 -179.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -131.41 65.15 1.57 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.976 0.417 . . . . 0.0 110.33 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . 0.509 ' HB2' ' HD2' ' A' ' 97' ' ' PRO . 1.9 p-80 -131.98 160.16 68.97 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.285 -179.408 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.509 ' HD2' ' HB2' ' A' ' 96' ' ' HIS . 24.1 Cg_endo -61.4 -177.03 0.19 Allowed 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.676 2.251 . . . . 0.0 112.428 179.8 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 8.8 ttpt -64.92 -40.49 95.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.403 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.427 ' O ' ' CE2' ' A' ' 102' ' ' TYR . 0.0 OUTLIER -54.0 -31.37 50.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.473 -179.504 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . 0.426 ' HB2' ' CG ' ' A' ' 96' ' ' HIS . 70.8 m -94.04 19.79 8.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.532 -0.303 . . . . 0.0 111.076 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.512 ' HB2' ' OE2' ' A' ' 105' ' ' GLU . . . -78.42 -26.12 46.25 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.789 0.328 . . . . 0.0 111.659 -179.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.427 ' CE2' ' O ' ' A' ' 99' ' ' GLN . 26.4 p90 -66.96 -12.44 59.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.542 -179.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.875 ' CE2' ' HB2' ' A' ' 90' ' ' ALA . 0.6 OUTLIER -94.48 -69.88 0.73 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.713 0.292 . . . . 0.0 111.014 -179.692 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 58.0 m -129.34 92.03 3.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.752 179.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.512 ' OE2' ' HB2' ' A' ' 101' ' ' ALA . 1.6 mt-10 -165.83 -172.83 2.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.936 0.398 . . . . 0.0 111.068 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 3.3 p30 . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.289 179.986 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.7 mmtm . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.84 0.352 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.533 ' CZ ' ' HB ' ' A' ' 87' ' ' ILE . 19.5 p90 -159.28 168.18 27.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.768 179.673 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -117.06 126.79 53.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.135 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.585 ' CB ' HD13 ' A' ' 87' ' ' ILE . 9.0 t0 -96.37 119.66 35.26 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.2 179.488 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.415 ' CG ' ' N ' ' A' ' 82' ' ' LEU . 39.8 p-80 -67.58 -49.14 64.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.956 -179.003 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.415 ' N ' ' CG ' ' A' ' 81' ' ' HIS . 0.5 OUTLIER -62.88 -16.02 57.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.611 0.244 . . . . 0.0 111.451 -179.58 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.414 ' HB2' ' HB3' ' A' ' 80' ' ' ASP . 45.8 mt -105.03 -24.87 12.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.774 0.321 . . . . 0.0 111.167 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 67.62 14.73 9.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.242 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -123.14 172.04 8.87 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.794 0.331 . . . . 0.0 110.776 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 37.5 t -103.61 97.55 7.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.386 179.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.633 ' N ' HD12 ' A' ' 87' ' ' ILE . 3.2 mp -84.64 148.83 4.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.241 -179.451 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.0 m -92.45 168.05 11.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.917 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 66.3 m -107.27 -48.17 3.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.084 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.866 ' HB2' ' CE2' ' A' ' 103' ' ' PHE . . . -57.38 -30.66 65.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.282 -179.785 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.12 -21.09 59.09 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.258 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 7.9 pt -115.3 24.0 5.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.621 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . 0.464 ' HA ' ' CE1' ' A' ' 96' ' ' HIS . 1.6 m -62.48 116.71 5.34 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.975 0.417 . . . . 0.0 110.878 179.699 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 114.4 -28.28 8.36 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.94 -0.648 . . . . 0.0 112.328 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 20.9 mm-40 -140.01 49.04 1.77 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.975 0.417 . . . . 0.0 110.651 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . 0.469 ' HB2' ' HD2' ' A' ' 97' ' ' PRO . 1.9 p-80 -121.14 159.21 50.49 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.844 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.469 ' HD2' ' HB2' ' A' ' 96' ' ' HIS . 31.3 Cg_endo -63.95 179.59 1.04 Allowed 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.477 2.118 . . . . 0.0 112.107 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 5.6 ttpt -62.93 -24.26 67.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.283 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -60.99 -39.61 90.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.142 -179.785 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 64.0 m -94.3 27.36 2.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.167 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -77.11 -31.23 55.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.823 0.344 . . . . 0.0 111.135 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 29.4 p90 -60.9 -20.05 61.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.204 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.866 ' CE2' ' HB2' ' A' ' 90' ' ' ALA . 0.3 OUTLIER -86.71 -69.9 0.64 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.134 -179.633 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 24.8 m -132.53 95.46 3.62 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.921 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -166.07 -175.64 3.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.928 0.394 . . . . 0.0 111.052 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.177 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.79 0.328 . . . . 0.0 110.827 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.5 ' CE1' ' HB ' ' A' ' 87' ' ' ILE . 4.6 p90 -117.35 164.45 14.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.963 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -112.01 130.72 55.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.998 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.67 ' HB2' HD13 ' A' ' 87' ' ' ILE . 37.3 t0 -106.49 112.3 25.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.579 179.787 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.539 ' CE1' HD23 ' A' ' 82' ' ' LEU . 54.1 p-80 -61.8 -48.82 78.9 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.804 -179.286 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.539 HD23 ' CE1' ' A' ' 81' ' ' HIS . 0.4 OUTLIER -54.89 -23.3 18.03 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.704 0.287 . . . . 0.0 111.237 -179.784 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 36.4 mt -102.78 -24.03 13.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.078 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 10.3 mtt180 67.6 14.52 9.57 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.18 -179.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -123.42 175.81 6.52 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.645 179.738 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 1.7 m -103.72 103.93 13.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.312 179.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.682 ' N ' HD12 ' A' ' 87' ' ' ILE . 2.9 mp -97.72 156.0 3.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.484 -179.281 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.448 ' N ' HG22 ' A' ' 87' ' ' ILE . 3.6 m -93.18 163.19 13.72 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.69 179.801 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 56.0 m -106.94 -33.47 7.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.82 0.343 . . . . 0.0 111.039 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.889 ' HB2' ' CE2' ' A' ' 103' ' ' PHE . . . -71.82 -23.66 61.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.359 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.24 -19.9 35.54 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.364 -179.672 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.535 HD12 ' CB ' ' A' ' 96' ' ' HIS . 14.6 pt -113.8 25.22 4.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 111.699 0.259 . . . . 0.0 111.699 -179.671 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . 0.458 ' HA ' ' CE1' ' A' ' 96' ' ' HIS . 1.6 m -64.35 116.71 6.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.951 0.405 . . . . 0.0 110.878 179.714 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 118.64 -28.59 6.69 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.271 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.51 56.9 1.23 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.983 0.42 . . . . 0.0 110.473 179.801 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . 0.535 ' CB ' HD12 ' A' ' 92' ' ' ILE . 1.8 p-80 -124.29 159.71 55.98 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.052 -179.688 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.453 ' HD2' ' HB2' ' A' ' 96' ' ' HIS . 34.5 Cg_endo -64.79 -177.0 0.49 Allowed 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.483 2.122 . . . . 0.0 112.154 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 6.0 ttpt -63.61 -29.46 70.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.107 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.6 -37.93 71.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.173 -179.775 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . 0.47 ' SG ' HD11 ' A' ' 92' ' ' ILE . 87.0 m -98.64 26.99 5.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.171 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -78.7 -21.95 47.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.352 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 29.4 p90 -72.11 -24.39 61.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.216 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.889 ' CE2' ' HB2' ' A' ' 90' ' ' ALA . 0.3 OUTLIER -80.1 -70.25 0.53 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.048 -179.624 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 18.6 m -132.69 96.43 3.81 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.77 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -166.15 -172.7 2.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.955 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 7.4 p30 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.168 179.997 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.4 tttt . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.769 0.319 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.471 ' CE1' ' HB ' ' A' ' 87' ' ' ILE . 2.7 p90 -126.95 169.19 13.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.947 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -109.98 133.93 52.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.825 179.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.545 ' CB ' HD13 ' A' ' 87' ' ' ILE . 5.7 t0 -106.87 141.7 37.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.387 179.65 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 38.8 p-80 -82.51 -52.16 7.11 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.655 -179.321 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.449 ' H ' HD23 ' A' ' 82' ' ' LEU . 0.6 OUTLIER -60.84 -17.84 52.25 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.619 0.247 . . . . 0.0 111.213 -179.804 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.407 ' HB2' ' HB3' ' A' ' 80' ' ' ASP . 45.2 mt -101.51 -27.78 12.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.862 0.363 . . . . 0.0 110.858 179.668 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? 65.47 18.42 11.29 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.959 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -131.22 -179.81 5.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.735 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 31.8 t -103.93 109.71 21.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.49 179.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.643 ' N ' HD12 ' A' ' 87' ' ' ILE . 3.4 mp -106.66 160.65 6.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.293 -179.44 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.511 ' N ' HG22 ' A' ' 87' ' ' ILE . 0.9 OUTLIER -94.8 168.15 10.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.392 179.599 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 68.6 m -104.8 -27.79 11.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.135 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.759 ' HB2' ' CE2' ' A' ' 103' ' ' PHE . . . -74.25 -23.03 59.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.352 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -86.44 -22.47 26.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.422 -179.766 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.74 HD11 ' SG ' ' A' ' 100' ' ' CYS . 18.7 pt -108.06 23.61 3.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.574 -179.744 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . 0.493 ' HA ' ' CE1' ' A' ' 96' ' ' HIS . 1.6 m -66.46 116.82 7.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.963 0.411 . . . . 0.0 111.067 179.775 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 124.81 -36.78 2.76 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.921 -0.657 . . . . 0.0 112.331 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -143.08 58.4 1.41 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.926 0.393 . . . . 0.0 110.662 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . 0.493 ' CE1' ' HA ' ' A' ' 93' ' ' CYS . 1.6 p-80 -120.59 160.31 44.69 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.008 -179.748 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.469 ' HD2' ' HB2' ' A' ' 96' ' ' HIS . 40.8 Cg_endo -67.77 176.29 5.33 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.394 2.062 . . . . 0.0 112.076 179.751 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.03 -27.95 64.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.191 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.405 ' HG2' ' CD2' ' A' ' 78' ' ' PHE . 0.8 OUTLIER -56.39 -42.32 77.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.172 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . 0.74 ' SG ' HD11 ' A' ' 92' ' ' ILE . 55.0 m -95.5 24.62 5.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.936 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.463 ' HA ' ' HB2' ' A' ' 105' ' ' GLU . . . -76.26 -17.58 59.41 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.366 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 25.8 p90 -77.63 -3.35 40.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.499 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.759 ' CE2' ' HB2' ' A' ' 90' ' ' ALA . 0.3 OUTLIER -103.35 -69.26 0.8 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.78 0.324 . . . . 0.0 110.804 -179.637 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 13.1 m -134.31 84.94 2.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.547 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.463 ' HB2' ' HA ' ' A' ' 101' ' ' ALA . 0.0 OUTLIER -146.11 -173.37 4.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.022 0.439 . . . . 0.0 111.2 -179.727 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 6.1 p30 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.946 179.92 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.2 mptt . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.739 0.304 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.469 ' CZ ' ' HB ' ' A' ' 87' ' ' ILE . 26.9 p90 -144.42 167.06 23.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.07 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -117.43 125.9 51.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.485 179.542 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.609 ' CB ' HD13 ' A' ' 87' ' ' ILE . 65.3 t0 -95.45 126.14 40.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.76 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 56.7 p-80 -71.44 -49.04 45.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.624 -179.403 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.42 -20.42 44.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.201 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 47.6 mt -104.93 -25.03 12.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.891 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 4.4 tmm_? 65.41 16.67 10.64 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.101 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -120.15 175.6 5.86 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.809 0.338 . . . . 0.0 110.758 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 5.3 p -103.87 94.17 5.27 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.585 179.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.609 HD13 ' CB ' ' A' ' 80' ' ' ASP . 3.8 mp -84.46 148.46 4.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.085 -179.734 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.54 168.17 9.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.805 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 71.9 m -100.81 -45.08 5.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.07 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.449 ' HB2' ' CZ ' ' A' ' 103' ' ' PHE . . . -53.11 -26.06 15.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.435 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.21 -24.25 34.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.292 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 7.3 pt -113.0 22.26 5.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.563 -0.289 . . . . 0.0 111.659 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . 0.442 ' HA ' ' CE1' ' A' ' 96' ' ' HIS . 1.6 m -60.51 116.93 4.7 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.934 0.397 . . . . 0.0 111.065 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 118.12 -34.22 4.54 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.909 -0.663 . . . . 0.0 112.256 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -139.03 57.58 1.66 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.886 0.374 . . . . 0.0 110.713 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . 0.442 ' CE1' ' HA ' ' A' ' 93' ' ' CYS . 2.0 p-80 -126.94 155.69 75.27 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.144 -179.786 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -63.52 175.52 2.75 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.646 2.231 . . . . 0.0 112.127 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.15 -25.0 60.94 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.978 179.795 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.412 ' O ' ' CE2' ' A' ' 102' ' ' TYR . 0.1 OUTLIER -60.49 -17.99 48.76 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.022 179.754 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 53.7 m -122.01 16.44 10.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.902 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.449 ' HA ' ' HB2' ' A' ' 105' ' ' GLU . . . -69.85 -20.55 63.41 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.705 -179.715 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.412 ' CE2' ' O ' ' A' ' 99' ' ' GLN . 13.6 p90 -76.84 -13.45 60.0 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 111.812 0.301 . . . . 0.0 111.812 -179.661 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.449 ' CZ ' ' HB2' ' A' ' 90' ' ' ALA . 0.7 OUTLIER -89.52 -68.63 0.76 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.763 0.316 . . . . 0.0 110.931 -179.734 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 57.0 m -128.95 81.27 2.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.754 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.449 ' HB2' ' HA ' ' A' ' 101' ' ' ALA . 0.0 OUTLIER -166.19 -173.0 2.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.948 0.404 . . . . 0.0 111.251 -179.931 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.259 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.0 mttm . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.916 0.389 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.615 ' HE1' HD11 ' A' ' 92' ' ' ILE . 50.5 p90 -113.47 177.45 4.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.863 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -117.47 125.63 51.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.927 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.566 ' HB2' HD13 ' A' ' 87' ' ' ILE . 43.6 t0 -111.95 111.76 22.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.597 179.649 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.405 ' CG ' ' N ' ' A' ' 82' ' ' LEU . 36.7 p-80 -53.46 -49.11 68.12 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.961 -179.255 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.405 ' N ' ' CG ' ' A' ' 81' ' ' HIS . 1.9 pp -56.45 -21.83 28.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.667 0.27 . . . . 0.0 111.324 -179.686 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.525 HD12 ' CD1' ' A' ' 87' ' ' ILE . 23.8 mt -103.02 -25.4 13.45 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.929 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 66.16 18.53 10.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.179 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -134.03 178.6 6.83 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.771 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 9.0 p -103.43 98.01 7.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.24 179.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.566 HD13 ' HB2' ' A' ' 80' ' ' ASP . 4.6 mp -83.73 146.74 6.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.817 -0.628 . . . . 0.0 111.371 -179.252 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -85.84 168.14 14.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.024 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 62.5 m -102.36 -44.86 5.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.934 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.89 ' HB2' ' CZ ' ' A' ' 103' ' ' PHE . . . -57.63 -34.91 69.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.26 -179.776 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 77.5 p -70.86 -17.24 62.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.486 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.615 HD11 ' HE1' ' A' ' 78' ' ' PHE . 6.3 pt -120.71 24.6 4.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 N-CA-C 111.688 0.255 . . . . 0.0 111.688 -179.76 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . 0.453 ' HA ' ' CE1' ' A' ' 96' ' ' HIS . 1.6 m -61.33 116.72 4.85 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.955 0.407 . . . . 0.0 110.875 179.564 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 112.28 -28.07 9.51 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.353 -179.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -137.68 46.94 2.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.929 0.395 . . . . 0.0 110.697 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . 0.518 ' CB ' HD12 ' A' ' 92' ' ' ILE . 2.0 p-80 -120.9 159.81 47.43 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.96 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.465 ' HD2' ' HB2' ' A' ' 96' ' ' HIS . 29.1 Cg_endo -63.29 171.61 6.29 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.436 2.091 . . . . 0.0 111.998 179.773 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.6 ttpt -57.32 -25.05 58.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.331 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -60.81 -35.33 76.22 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.309 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . 0.455 ' HB2' ' CG ' ' A' ' 96' ' ' HIS . 63.5 m -94.16 26.69 3.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.031 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.412 ' HA ' ' HB2' ' A' ' 105' ' ' GLU . . . -75.85 -30.02 58.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.925 0.393 . . . . 0.0 111.305 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 30.9 p90 -63.85 -16.96 62.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.278 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.89 ' CZ ' ' HB2' ' A' ' 90' ' ' ALA . 0.4 OUTLIER -90.04 -68.53 0.78 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.772 0.32 . . . . 0.0 110.881 -179.816 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 35.2 m -133.77 95.69 3.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.81 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.412 ' HB2' ' HA ' ' A' ' 101' ' ' ALA . 2.3 mm-40 -165.52 -172.9 2.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.124 0.487 . . . . 0.0 111.38 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 5.1 p30 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.396 -179.861 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 12.2 mmtm . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.709 0.29 . . . . 0.0 110.739 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.454 ' CE1' ' HB ' ' A' ' 87' ' ' ILE . 1.9 p90 -151.08 174.91 12.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.898 0.38 . . . . 0.0 111.085 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -117.21 137.84 52.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.932 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.563 ' CB ' HD13 ' A' ' 87' ' ' ILE . 55.4 t0 -112.7 130.77 55.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.608 179.668 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 69.0 t60 -68.65 -59.9 2.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.448 -179.346 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -48.13 -28.47 2.95 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.746 0.308 . . . . 0.0 111.202 -179.757 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.4 ' HB2' ' HB3' ' A' ' 80' ' ' ASP . 45.0 mt -96.42 -27.11 15.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.794 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 54.2 mtt180 64.4 17.76 10.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.196 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -124.82 -178.97 4.33 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.878 0.37 . . . . 0.0 111.028 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 2.0 p -104.66 100.82 10.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.657 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.639 ' N ' HD12 ' A' ' 87' ' ' ILE . 3.4 mp -94.41 159.36 2.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.249 -179.58 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.509 ' N ' HG22 ' A' ' 87' ' ' ILE . 0.8 OUTLIER -94.97 160.67 14.47 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.086 -179.842 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . 0.475 ' HA ' HD11 ' A' ' 92' ' ' ILE . 1.8 m -110.62 2.1 18.42 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.386 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.45 ' CB ' ' CZ ' ' A' ' 103' ' ' PHE . . . -99.07 -31.78 11.6 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.81 0.338 . . . . 0.0 111.23 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 65.6 p -85.66 -13.95 46.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.308 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.475 HD11 ' HA ' ' A' ' 89' ' ' CYS . 18.5 pt -95.88 26.26 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.626 0.251 . . . . 0.0 111.498 -179.799 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.7 m -60.83 131.71 51.55 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.908 0.385 . . . . 0.0 110.635 179.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 97.16 -25.68 25.96 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.339 -179.636 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.3 mm100 -137.93 40.38 2.34 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.734 0.302 . . . . 0.0 111.174 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . 0.464 ' CE1' ' HB2' ' A' ' 104' ' ' CYS . 23.3 p-80 -100.75 157.72 33.19 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.815 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -65.27 176.85 2.94 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.521 2.147 . . . . 0.0 112.304 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 3.9 ttpt -69.01 -32.01 71.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.023 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -58.54 -41.97 86.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.017 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 7.0 m -100.79 27.75 5.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.107 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.425 ' O ' ' HB2' ' A' ' 105' ' ' GLU . . . -69.15 -15.77 63.49 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.292 179.715 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 16.4 p90 -77.04 -0.38 24.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.265 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.45 ' CZ ' ' CB ' ' A' ' 90' ' ' ALA . 1.5 t80 -93.43 -58.06 2.4 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.641 0.258 . . . . 0.0 111.531 -179.271 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . 0.464 ' HB2' ' CE1' ' A' ' 96' ' ' HIS . 13.0 m -139.25 38.09 2.09 Favored 'General case' 0 CA--C 1.53 0.176 0 N-CA-C 111.73 0.27 . . . . 0.0 111.73 -179.162 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.425 ' HB2' ' O ' ' A' ' 101' ' ' ALA . 1.8 tt0 -117.98 -172.14 2.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.717 0.294 . . . . 0.0 110.757 179.609 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 7.0 p30 . . . . . 0 N--CA 1.464 0.235 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.646 -179.664 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 13.9 mttt . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.791 0.329 . . . . 0.0 110.74 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.438 ' CZ ' ' HB ' ' A' ' 87' ' ' ILE . 39.5 p90 -131.69 173.37 11.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.965 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -115.13 118.17 32.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.672 179.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.848 ' HB2' HD13 ' A' ' 87' ' ' ILE . 11.6 t0 -94.22 116.9 29.36 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.878 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 24.3 p80 -61.32 -49.27 77.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.202 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.401 HD21 ' OD1' ' A' ' 80' ' ' ASP . 0.5 OUTLIER -56.14 -22.11 26.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.445 -179.709 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.432 ' HB2' ' HB3' ' A' ' 80' ' ' ASP . 82.0 mt -104.26 -25.63 12.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.752 0.31 . . . . 0.0 111.267 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 4.3 ttm180 71.64 9.82 6.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.096 -179.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -123.23 -178.87 4.1 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.744 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 9.1 t -103.66 107.08 17.78 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.629 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.848 HD13 ' HB2' ' A' ' 80' ' ' ASP . 3.1 mp -105.93 152.87 7.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.401 -179.463 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -101.06 165.87 11.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.565 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 50.9 m -97.51 -40.09 8.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.869 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.841 ' HB2' ' CE2' ' A' ' 103' ' ' PHE . . . -62.87 -37.18 85.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.131 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.8 m -69.49 -11.56 60.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.636 -179.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.43 HD12 ' CB ' ' A' ' 96' ' ' HIS . 12.5 pt -125.21 24.02 3.39 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 N-CA-C 111.684 0.253 . . . . 0.0 111.684 -179.682 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . 0.45 ' HA ' ' CE1' ' A' ' 96' ' ' HIS . 1.5 m -63.01 117.84 7.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.052 0.453 . . . . 0.0 111.085 179.628 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 118.64 -37.59 3.16 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.171 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -138.27 58.23 1.68 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.983 0.42 . . . . 0.0 110.449 179.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . 0.45 ' CE1' ' HA ' ' A' ' 93' ' ' CYS . 1.6 p-80 -123.04 164.06 29.68 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.146 -179.478 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_exo -56.72 -178.01 0.07 OUTLIER 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.615 2.21 . . . . 0.0 112.115 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.407 ' HE2' ' N ' ' A' ' 99' ' ' GLN . 0.0 OUTLIER -74.6 -17.45 60.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.189 179.897 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.407 ' N ' ' HE2' ' A' ' 98' ' ' LYS . 3.4 pt20 -73.2 -30.56 63.61 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.047 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 68.6 m -94.01 24.08 4.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.996 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.443 ' HA ' ' HB2' ' A' ' 105' ' ' GLU . . . -76.56 -24.33 53.57 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.217 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.406 ' CE2' ' O ' ' A' ' 99' ' ' GLN . 19.9 p90 -69.22 -18.91 63.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.328 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.841 ' CE2' ' HB2' ' A' ' 90' ' ' ALA . 0.3 OUTLIER -88.01 -56.99 3.1 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.747 0.308 . . . . 0.0 110.769 -179.91 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 16.2 m -148.7 101.14 3.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.69 179.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.443 ' HB2' ' HA ' ' A' ' 101' ' ' ALA . 0.0 OUTLIER -164.22 -172.63 2.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.987 0.422 . . . . 0.0 111.165 179.909 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 2.9 p30 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.304 -179.91 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 19.2 mttt . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.901 0.381 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.462 ' CE1' ' HB ' ' A' ' 87' ' ' ILE . 4.1 p90 -131.09 174.12 10.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.692 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -117.14 135.17 53.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.05 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.59 ' HB2' HD13 ' A' ' 87' ' ' ILE . 36.8 t0 -114.92 111.76 21.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.531 179.755 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.52 ' NE2' HD23 ' A' ' 82' ' ' LEU . 8.0 p80 -55.56 -50.68 69.39 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.88 -179.145 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.52 HD23 ' NE2' ' A' ' 81' ' ' HIS . 0.3 OUTLIER -54.46 -23.41 15.97 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.717 0.294 . . . . 0.0 111.333 -179.603 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 23.2 mt -98.92 -25.39 14.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.821 0.343 . . . . 0.0 110.948 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 66.74 17.48 10.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.1 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 58.9 m-20 -131.53 178.61 6.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.707 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 5.1 p -103.83 106.57 17.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.02 0.438 . . . . 0.0 110.47 179.554 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.647 ' N ' HD12 ' A' ' 87' ' ' ILE . 3.1 mp -98.58 146.35 8.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.286 -179.508 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.04 168.35 17.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.659 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 42.3 m -104.53 -41.2 5.78 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.996 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.712 ' HB2' ' CE2' ' A' ' 103' ' ' PHE . . . -65.61 -35.41 80.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.172 -179.817 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.42 -14.79 62.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.447 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.475 HD12 ' CB ' ' A' ' 96' ' ' HIS . 5.9 pt -119.63 21.59 5.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.7 -0.227 . . . . 0.0 111.562 -179.78 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . 0.473 ' HA ' ' CE1' ' A' ' 96' ' ' HIS . 1.5 m -60.46 116.69 4.5 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.021 0.439 . . . . 0.0 110.91 179.613 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 118.27 -26.62 7.71 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.218 -179.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 5.3 mm100 -148.12 55.71 1.05 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.964 0.412 . . . . 0.0 110.817 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . 0.475 ' CB ' HD12 ' A' ' 92' ' ' ILE . 2.0 p-80 -123.62 159.2 56.6 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.911 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.44 ' HD2' ' HB2' ' A' ' 96' ' ' HIS . 21.0 Cg_endo -60.94 170.41 4.77 Favored 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.547 2.164 . . . . 0.0 112.044 179.81 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 11.6 ttpt -56.03 -29.2 60.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.194 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -57.2 -36.68 71.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.167 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . 0.436 ' HB2' ' CG ' ' A' ' 96' ' ' HIS . 96.1 m -94.28 21.82 6.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.98 179.818 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.42 ' HA ' ' HB2' ' A' ' 105' ' ' GLU . . . -74.55 -22.08 59.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.481 -179.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 22.8 p90 -72.28 -10.0 59.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.41 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.712 ' CE2' ' HB2' ' A' ' 90' ' ' ALA . 0.3 OUTLIER -98.0 -68.99 0.78 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.76 0.314 . . . . 0.0 110.798 -179.771 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 17.5 m -134.64 92.61 2.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.654 179.621 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.42 ' HB2' ' HA ' ' A' ' 101' ' ' ALA . 1.1 mm-40 -154.56 -171.78 3.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.096 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 . . . . . 0 N--CA 1.467 0.379 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.665 -179.716 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.406 ' HG3' ' CB ' ' A' ' 88' ' ' SER . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.809 0.337 . . . . 0.0 110.824 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.469 ' CZ ' ' HB ' ' A' ' 87' ' ' ILE . 39.0 p90 -112.87 170.81 7.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.766 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 13.6 t80 -117.17 135.09 54.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.106 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.665 ' HB2' HD13 ' A' ' 87' ' ' ILE . 34.9 t0 -113.85 99.69 7.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.549 179.766 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 55.4 t60 -49.94 -53.28 27.22 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.715 -179.568 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.59 -28.29 3.35 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.871 0.367 . . . . 0.0 110.98 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 38.0 mt -98.34 -24.18 15.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.821 179.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 69.52 12.47 8.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.117 -179.753 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -122.75 174.98 6.78 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.514 179.689 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 3.3 m -104.08 98.98 8.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.613 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.665 HD13 ' HB2' ' A' ' 80' ' ' ASP . 3.6 mp -90.63 149.52 4.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.183 -179.746 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.406 ' CB ' ' HG3' ' A' ' 77' ' ' LYS . 0.5 OUTLIER -109.07 168.64 9.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.001 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 76.9 m -93.29 -35.15 13.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.658 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.752 ' HB2' ' CE2' ' A' ' 103' ' ' PHE . . . -70.55 -30.68 67.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.4 m -69.7 -16.98 63.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.132 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.777 HD12 ' HB3' ' A' ' 96' ' ' HIS . 0.5 OUTLIER -108.21 -85.89 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.231 179.821 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . 0.433 ' H ' HG13 ' A' ' 92' ' ' ILE . 1.6 m 57.39 116.75 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.094 0.473 . . . . 0.0 111.654 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 110.62 -38.62 3.22 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.946 179.646 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 65.7 mm-40 -138.63 43.67 2.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.921 0.391 . . . . 0.0 111.0 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . 0.777 ' HB3' HD12 ' A' ' 92' ' ' ILE . 2.0 p-80 -104.96 160.89 24.44 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.0 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -60.01 172.86 2.08 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.49 2.126 . . . . 0.0 111.937 179.632 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.35 -20.59 64.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.169 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.413 ' O ' ' CE2' ' A' ' 102' ' ' TYR . 1.3 pt20 -67.39 -39.17 85.57 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.325 -179.773 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 59.0 m -87.87 13.6 10.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.463 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.45 ' HA ' ' HB2' ' A' ' 105' ' ' GLU . . . -64.94 -16.05 62.86 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.59 0.233 . . . . 0.0 111.616 -179.77 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.413 ' CE2' ' O ' ' A' ' 99' ' ' GLN . 10.5 p90 -80.41 -0.94 39.28 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.741 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.752 ' CE2' ' HB2' ' A' ' 90' ' ' ALA . 0.8 OUTLIER -103.95 -68.29 0.85 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.811 0.339 . . . . 0.0 110.846 -179.897 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 72.2 m -130.29 81.45 2.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.588 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.45 ' HB2' ' HA ' ' A' ' 101' ' ' ALA . 3.0 mt-10 -166.01 -172.24 2.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.948 0.404 . . . . 0.0 111.47 -179.748 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.466 0.36 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.379 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.9 mttm . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.884 0.373 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.493 ' HE2' HD11 ' A' ' 92' ' ' ILE . 33.6 p90 -163.52 171.12 16.31 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.832 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.409 ' HA ' ' HA ' ' A' ' 86' ' ' CYS . 6.7 t80 -115.29 133.29 56.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.914 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.66 ' CB ' HD13 ' A' ' 87' ' ' ILE . 57.5 t0 -109.27 130.33 55.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.758 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 54.5 p-80 -73.11 -49.78 26.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.601 -179.378 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.71 -21.67 42.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.209 -179.763 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 45.2 mt -104.75 -25.05 12.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.013 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 66.99 15.63 10.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.961 -179.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -124.32 176.85 6.18 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.863 0.363 . . . . 0.0 110.724 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . 0.409 ' HA ' ' HA ' ' A' ' 79' ' ' TYR . 2.7 t -103.92 91.91 4.18 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.377 179.644 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.66 HD13 ' CB ' ' A' ' 80' ' ' ASP . 3.9 mp -81.12 152.48 4.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.211 -179.59 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -99.32 168.24 10.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.084 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 95.9 m -94.31 -38.07 11.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.853 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.693 ' HB2' ' CZ ' ' A' ' 103' ' ' PHE . . . -57.01 -45.43 83.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.434 -179.68 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -63.31 -16.76 61.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.459 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.493 HD11 ' HE2' ' A' ' 78' ' ' PHE . 16.4 pt -121.34 24.48 4.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 N-CA-C 111.746 0.276 . . . . 0.0 111.746 -179.716 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . 0.461 ' HA ' ' CE1' ' A' ' 96' ' ' HIS . 1.6 m -63.37 120.07 10.9 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.94 0.4 . . . . 0.0 111.013 179.758 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 120.04 -41.19 2.01 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.386 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -137.93 62.01 1.58 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.971 0.415 . . . . 0.0 110.671 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . 0.461 ' CE1' ' HA ' ' A' ' 93' ' ' CYS . 1.7 p-80 -126.32 163.09 42.37 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.912 -179.811 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.408 ' HD2' ' HB2' ' A' ' 96' ' ' HIS . 53.4 Cg_exo -52.85 176.89 0.06 OUTLIER 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.579 2.186 . . . . 0.0 112.122 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 9.3 ttpt -70.28 -31.03 68.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.991 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.433 ' O ' ' CE2' ' A' ' 102' ' ' TYR . 0.6 OUTLIER -59.75 -31.9 70.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.062 -179.778 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 20.8 m -90.8 25.94 2.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.024 179.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.517 ' HA ' ' HB2' ' A' ' 105' ' ' GLU . . . -78.74 -30.54 45.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.908 0.385 . . . . 0.0 111.281 -179.768 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.433 ' CE2' ' O ' ' A' ' 99' ' ' GLN . 11.4 p90 -61.09 -18.09 56.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.359 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.693 ' CZ ' ' HB2' ' A' ' 90' ' ' ALA . 0.5 OUTLIER -89.85 -69.71 0.71 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.753 0.311 . . . . 0.0 111.032 -179.516 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 37.6 m -132.65 92.08 3.01 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.618 179.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.517 ' HB2' ' HA ' ' A' ' 101' ' ' ALA . 0.2 OUTLIER -166.47 -172.0 2.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.988 0.423 . . . . 0.0 111.281 -179.785 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.467 0.378 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.275 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 10.9 mttt . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.896 0.379 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.498 ' CE1' ' HB ' ' A' ' 87' ' ' ILE . 10.3 p90 -123.07 176.85 5.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -116.89 109.66 17.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.738 179.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.66 ' HB2' HD13 ' A' ' 87' ' ' ILE . 31.6 t0 -90.47 113.82 25.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.715 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 15.0 p80 -55.31 -48.78 73.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.704 -179.426 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.3 pp -57.63 -19.87 29.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.734 0.302 . . . . 0.0 111.406 -179.645 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.487 HD12 HG12 ' A' ' 87' ' ' ILE . 46.7 mt -104.72 -23.43 13.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.075 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 3.3 mpp_? 63.46 18.0 10.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 -179.562 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 52.8 m-20 -132.22 -179.33 5.36 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.746 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 13.6 p -103.85 107.19 17.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.988 0.423 . . . . 0.0 110.496 179.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.66 HD13 ' HB2' ' A' ' 80' ' ' ASP . 3.0 mp -101.47 153.49 4.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.355 -179.476 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -93.07 168.67 10.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.592 179.817 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 56.1 m -108.81 -29.59 8.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.073 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.881 ' HB2' ' CE2' ' A' ' 103' ' ' PHE . . . -82.33 -15.39 53.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.638 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 80.5 p -91.53 -21.59 20.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.678 -0.237 . . . . 0.0 111.563 -179.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.467 HD12 ' CB ' ' A' ' 96' ' ' HIS . 5.6 pt -111.09 24.43 3.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 111.649 0.24 . . . . 0.0 111.649 -179.621 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . 0.453 ' HA ' ' CE1' ' A' ' 96' ' ' HIS . 1.6 m -59.73 116.64 4.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.998 0.428 . . . . 0.0 110.868 179.689 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 120.22 -33.07 4.67 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.917 -0.659 . . . . 0.0 112.211 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -143.72 60.16 1.38 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.977 0.418 . . . . 0.0 110.618 179.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . 0.467 ' CB ' HD12 ' A' ' 92' ' ' ILE . 1.8 p-80 -125.62 159.68 59.59 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.013 -179.645 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.445 ' HD2' ' HB2' ' A' ' 96' ' ' HIS . 19.2 Cg_endo -58.61 176.58 0.4 Allowed 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.537 2.158 . . . . 0.0 112.178 179.749 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.52 -24.25 67.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.202 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -63.57 -36.0 82.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.776 0.322 . . . . 0.0 111.162 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 96.0 m -95.06 24.88 4.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.073 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -78.28 -27.34 47.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.798 0.333 . . . . 0.0 111.33 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 25.7 p90 -65.7 -14.94 62.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.386 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.881 ' CE2' ' HB2' ' A' ' 90' ' ' ALA . 0.5 OUTLIER -90.38 -69.92 0.7 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.639 0.257 . . . . 0.0 111.127 -179.692 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 34.9 m -129.86 87.94 2.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.935 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -166.34 -172.96 2.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.861 0.363 . . . . 0.0 111.04 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 7.4 p30 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.004 179.994 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.8 mtpt . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.742 0.306 . . . . 0.0 110.714 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.494 ' CE1' ' HB ' ' A' ' 87' ' ' ILE . 2.4 p90 -138.24 172.54 12.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.962 0.41 . . . . 0.0 111.03 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -113.6 122.31 46.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.772 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.701 ' HB2' HD13 ' A' ' 87' ' ' ILE . 24.9 t0 -100.81 106.59 18.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.753 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 5.3 p80 -56.25 -46.2 79.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.366 -179.624 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.8 pp -56.22 -22.65 30.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.235 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 58.0 mt -104.27 -24.58 13.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.066 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.1 mtt-85 67.73 14.01 9.38 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.052 -179.704 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -125.64 -178.93 4.42 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.756 0.312 . . . . 0.0 110.724 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 28.9 p -103.69 112.7 25.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.014 0.435 . . . . 0.0 110.618 179.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.701 HD13 ' HB2' ' A' ' 80' ' ' ASP . 2.7 mp -110.32 158.69 10.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.385 -179.418 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.484 ' N ' HG22 ' A' ' 87' ' ' ILE . 0.6 OUTLIER -94.27 162.39 13.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.707 179.839 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . 0.462 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 77.8 m -94.06 -30.7 14.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.811 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.422 ' HB2' ' CZ ' ' A' ' 103' ' ' PHE . . . -58.06 -54.43 47.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.48 -179.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 69.9 m -57.08 -22.39 39.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.596 -179.571 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.444 HD12 ' CB ' ' A' ' 96' ' ' HIS . 25.1 pt -112.01 27.73 2.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 111.699 0.259 . . . . 0.0 111.699 -179.628 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.7 m -63.95 126.19 26.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.82 0.343 . . . . 0.0 110.705 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 101.11 -30.68 9.84 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.481 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -135.95 57.88 1.77 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.861 0.362 . . . . 0.0 110.982 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . 0.444 ' CB ' HD12 ' A' ' 92' ' ' ILE . 27.5 p-80 -123.29 156.75 63.06 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.885 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -64.3 175.31 3.42 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.61 2.206 . . . . 0.0 112.405 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 4.5 ttpt -59.86 -29.85 68.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.026 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.414 ' O ' ' CE2' ' A' ' 102' ' ' TYR . 5.8 tp-100 -54.97 -39.9 69.46 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.959 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 52.0 m -91.6 25.97 2.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.854 179.707 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.541 ' HA ' ' HB2' ' A' ' 105' ' ' GLU . . . -69.5 -14.93 63.13 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.479 -179.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.414 ' CE2' ' O ' ' A' ' 99' ' ' GLN . 35.2 p90 -91.16 -0.63 57.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.873 -179.45 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.462 ' CD2' ' HB2' ' A' ' 89' ' ' CYS . 2.9 t80 -102.73 -72.49 0.69 Allowed 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 111.764 0.283 . . . . 0.0 111.764 -179.099 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 14.2 m -122.63 51.68 1.38 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.85 0.357 . . . . 0.0 111.071 -179.427 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.541 ' HB2' ' HA ' ' A' ' 101' ' ' ALA . 0.6 OUTLIER -140.8 -171.83 3.33 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.021 -179.775 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 6.8 p30 . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.254 -179.78 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 5.3 mptt . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.814 0.34 . . . . 0.0 110.838 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.512 ' HE2' HD11 ' A' ' 92' ' ' ILE . 32.6 p90 -123.23 169.97 10.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.927 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -117.24 124.11 48.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.032 179.688 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.739 ' HB2' HD13 ' A' ' 87' ' ' ILE . 27.5 t0 -97.49 102.14 13.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.715 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 49.6 p-80 -56.29 -47.72 78.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.443 -179.475 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.2 pp -54.46 -23.26 15.4 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.229 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 49.5 mt -102.64 -24.34 13.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.062 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 72.1 10.49 6.04 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.087 -179.6 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -121.91 176.1 5.95 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.687 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 57.1 m -103.83 105.85 16.19 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.481 179.543 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.739 HD13 ' HB2' ' A' ' 80' ' ' ASP . 2.7 mp -99.22 146.79 7.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.223 -179.449 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.21 168.81 10.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.974 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 57.7 m -93.32 -30.49 15.11 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.988 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.424 ' HB2' ' HE2' ' A' ' 103' ' ' PHE . . . -69.16 -37.37 78.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.471 -179.665 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.71 -12.01 61.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.613 -179.661 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.512 HD11 ' HE2' ' A' ' 78' ' ' PHE . 9.5 pt -126.31 26.07 2.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.68 0.276 . . . . 0.0 111.614 -179.702 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.7 m -58.41 116.86 3.9 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.788 0.328 . . . . 0.0 110.865 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 115.71 -47.18 1.06 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.408 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 -124.2 64.07 1.08 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.902 0.382 . . . . 0.0 110.74 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . 0.485 ' CG ' ' HB2' ' A' ' 100' ' ' CYS . 1.9 p-80 -132.41 163.88 47.39 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.192 -179.724 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -58.78 -176.85 0.1 OUTLIER 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.698 2.266 . . . . 0.0 112.439 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.68 -31.55 70.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.045 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.98 -25.44 63.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.06 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . 0.485 ' HB2' ' CG ' ' A' ' 96' ' ' HIS . 92.4 m -106.18 0.67 25.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.356 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.405 ' HA ' ' HG3' ' A' ' 105' ' ' GLU . . . -52.65 -67.2 0.27 Allowed 'General case' 0 C--O 1.231 0.11 0 CA-C-O 120.921 0.391 . . . . 0.0 111.529 -179.675 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.434 ' HA ' ' HB2' ' A' ' 106' ' ' ASN . 27.8 p90 -48.48 -24.31 1.24 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.796 -179.756 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.424 ' HE2' ' HB2' ' A' ' 90' ' ' ALA . 4.0 t80 -58.27 -61.91 2.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.914 -179.242 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 2.1 m -122.02 -39.73 2.58 Favored 'General case' 0 N--CA 1.463 0.18 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 -178.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.405 ' HG3' ' HA ' ' A' ' 101' ' ' ALA . 1.9 pt-20 -105.62 106.52 17.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.136 0.493 . . . . 0.0 111.529 -179.346 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.434 ' HB2' ' HA ' ' A' ' 102' ' ' TYR . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.874 179.782 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 88' ' ' SER . 12.8 mttt . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.821 0.343 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.467 ' CE1' ' HB ' ' A' ' 87' ' ' ILE . 1.4 p90 -140.47 173.58 11.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.008 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -117.25 123.18 45.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.951 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.553 ' HB2' HD13 ' A' ' 87' ' ' ILE . 47.2 t0 -99.39 112.01 24.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.73 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 10.9 p80 -57.79 -53.67 55.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.557 -179.556 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.9 pp -48.94 -27.47 3.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.791 0.329 . . . . 0.0 111.209 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 21.7 mt -96.37 -24.27 16.23 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.838 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 67.52 16.65 9.96 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 -179.713 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -130.89 176.79 7.93 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.556 179.782 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 4.9 m -103.73 117.89 35.43 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.955 0.407 . . . . 0.0 110.406 179.579 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.553 HD13 ' HB2' ' A' ' 80' ' ' ASP . 3.6 mp -113.63 159.93 13.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.366 -179.393 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.486 ' N ' HG22 ' A' ' 87' ' ' ILE . 0.3 OUTLIER -94.54 163.15 13.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.979 -179.914 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . 0.406 ' HA ' ' CG1' ' A' ' 92' ' ' ILE . 64.2 m -93.61 -46.2 7.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.826 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.732 ' HB2' ' CE2' ' A' ' 103' ' ' PHE . . . -56.13 -25.51 46.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.323 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 20.6 t -88.86 5.65 42.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.535 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.674 HD11 ' SG ' ' A' ' 100' ' ' CYS . 13.3 pt -135.88 21.91 0.95 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.151 0 N-CA-C 111.647 0.24 . . . . 0.0 111.647 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.7 m -60.05 116.39 4.13 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.911 0.386 . . . . 0.0 110.625 179.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 116.76 -37.99 3.17 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 121.015 -0.612 . . . . 0.0 112.054 -179.484 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -132.36 62.36 1.65 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.866 0.365 . . . . 0.0 110.618 179.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . 0.466 ' HB2' ' HD2' ' A' ' 97' ' ' PRO . 9.3 p-80 -132.06 159.55 71.63 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.197 -179.635 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.466 ' HD2' ' HB2' ' A' ' 96' ' ' HIS . 56.7 Cg_endo -71.22 169.53 20.45 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.481 2.12 . . . . 0.0 112.146 179.727 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 6.8 ttpt -50.17 -27.33 5.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.461 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.11 -40.75 81.98 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.126 -179.73 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . 0.674 ' SG ' HD11 ' A' ' 92' ' ' ILE . 92.1 m -93.93 25.02 3.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.864 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.65 -16.87 59.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.59 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 23.7 p90 -79.42 -1.39 37.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.516 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.732 ' CE2' ' HB2' ' A' ' 90' ' ' ALA . 0.5 OUTLIER -104.94 -68.81 0.84 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.785 0.326 . . . . 0.0 110.84 -179.692 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 55.6 m -132.26 85.78 2.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.536 179.676 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -150.28 -172.8 4.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.006 0.432 . . . . 0.0 111.171 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 4.3 p30 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.297 -179.782 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 12.3 mttm . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.741 0.305 . . . . 0.0 110.787 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.497 ' CZ ' ' HB ' ' A' ' 87' ' ' ILE . 34.7 p90 -159.16 168.18 27.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.945 0.402 . . . . 0.0 111.201 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -117.59 129.73 55.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.699 179.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.601 ' HB2' HD13 ' A' ' 87' ' ' ILE . 39.6 t0 -108.09 114.67 28.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.717 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 6.2 p80 -58.65 -48.36 81.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.409 -179.5 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.408 HD12 HD23 ' A' ' 83' ' ' LEU . 2.4 pp -55.79 -23.45 30.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.775 0.321 . . . . 0.0 111.134 -179.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.483 HD12 HG12 ' A' ' 87' ' ' ILE . 33.4 mt -99.96 -24.01 14.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.026 179.794 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 66.85 15.4 10.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.08 -179.654 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -131.74 178.25 6.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.579 179.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 47.8 t -103.59 103.87 13.86 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.979 0.418 . . . . 0.0 110.276 179.66 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.627 ' N ' HD12 ' A' ' 87' ' ' ILE . 3.4 mp -93.33 126.69 45.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.421 -179.345 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.401 ' O ' HG12 ' A' ' 92' ' ' ILE . 0.5 OUTLIER -85.43 168.47 14.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.772 179.844 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 68.9 m -94.71 -40.91 9.54 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.947 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.946 ' HB2' ' CZ ' ' A' ' 103' ' ' PHE . . . -68.32 -32.52 72.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.508 -179.604 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 67.0 m -80.15 -5.56 56.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.742 -179.619 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.552 HD11 ' SG ' ' A' ' 100' ' ' CYS . 45.5 pt -120.62 28.22 3.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 111.68 0.252 . . . . 0.0 111.68 -179.675 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 2.9 m -51.53 154.36 1.91 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.822 0.344 . . . . 0.0 110.43 179.666 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 76.13 -57.18 3.2 Favored Glycine 0 CA--C 1.519 0.328 0 C-N-CA 120.734 -0.746 . . . . 0.0 113.225 179.588 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -113.23 78.12 1.11 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.88 0.371 . . . . 0.0 111.219 -179.477 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . 0.496 ' CE1' ' HB2' ' A' ' 104' ' ' CYS . 9.2 p-80 -132.64 159.7 71.39 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.042 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -72.28 -177.44 2.69 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.386 2.057 . . . . 0.0 111.984 179.549 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 19.8 ttpt -66.17 -26.73 67.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.054 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.442 ' O ' ' CE2' ' A' ' 102' ' ' TYR . 0.8 OUTLIER -59.9 -54.03 50.88 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.06 -179.784 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . 0.552 ' SG ' HD11 ' A' ' 92' ' ' ILE . 89.0 m -77.75 4.08 12.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.597 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.503 ' HA ' ' HB2' ' A' ' 105' ' ' GLU . . . -50.78 -23.71 2.93 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.871 0.367 . . . . 0.0 111.584 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.442 ' CE2' ' O ' ' A' ' 99' ' ' GLN . 10.1 p90 -82.28 -0.53 45.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.861 -179.59 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.946 ' CZ ' ' HB2' ' A' ' 90' ' ' ALA . 1.5 t80 -101.47 -72.62 0.68 Allowed 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -179.179 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . 0.496 ' HB2' ' CE1' ' A' ' 96' ' ' HIS . 1.0 OUTLIER -115.79 43.73 2.05 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.559 0.219 . . . . 0.0 111.146 -179.061 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.503 ' HB2' ' HA ' ' A' ' 101' ' ' ALA . 2.9 tt0 -128.5 -171.84 2.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.046 0.451 . . . . 0.0 111.774 -179.465 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 1.4 p30 . . . . . 0 N--CA 1.465 0.325 0 CA-C-N 115.383 -0.826 . . . . 0.0 112.164 -179.539 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.654 0.264 . . . . 0.0 110.796 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.534 ' CZ ' ' HB ' ' A' ' 87' ' ' ILE . 26.1 p90 -141.24 165.27 27.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.939 0.4 . . . . 0.0 111.188 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -117.5 115.45 25.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.65 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.76 ' HB2' HD13 ' A' ' 87' ' ' ILE . 35.4 t0 -84.04 118.6 24.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.974 0.416 . . . . 0.0 110.635 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 9.1 p80 -63.22 -50.19 71.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.76 -179.294 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.76 -18.81 46.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.812 -179.278 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.467 ' HB2' ' HB3' ' A' ' 80' ' ' ASP . 53.1 mt -101.99 -24.24 14.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.609 0.242 . . . . 0.0 111.38 -179.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 65.14 16.89 10.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.743 -179.345 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -126.17 -178.85 4.46 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.583 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 2.6 p -106.04 111.85 24.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.959 0.409 . . . . 0.0 110.73 179.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.76 HD13 ' HB2' ' A' ' 80' ' ' ASP . 3.0 mp -112.46 146.88 16.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.151 -179.769 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.2 m -100.19 165.61 11.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.853 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 97.6 m -93.98 -46.78 7.0 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.521 ' HB2' ' CZ ' ' A' ' 103' ' ' PHE . . . -52.7 -32.58 43.41 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.403 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 70.4 m -78.68 -4.24 48.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.406 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 10.9 pt -135.95 21.41 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.748 -0.206 . . . . 0.0 111.552 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . 0.477 ' HA ' ' CE1' ' A' ' 96' ' ' HIS . 1.5 m -61.49 117.07 5.24 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.926 0.393 . . . . 0.0 111.142 179.821 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 120.0 -34.97 3.97 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.302 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -140.6 58.69 1.56 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.064 0.459 . . . . 0.0 110.594 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . 0.477 ' CE1' ' HA ' ' A' ' 93' ' ' CYS . 1.9 p-80 -126.92 164.07 37.43 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.006 -179.664 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -58.79 168.12 4.63 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.484 2.123 . . . . 0.0 112.091 179.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.69 -28.03 65.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.113 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.408 ' OE1' ' CD1' ' A' ' 78' ' ' PHE . 1.2 pt20 -59.28 -30.88 68.63 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.158 -179.778 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . 0.408 ' SG ' ' CE2' ' A' ' 78' ' ' PHE . 21.8 m -93.35 25.91 3.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.984 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.492 ' HA ' ' HB2' ' A' ' 105' ' ' GLU . . . -76.38 -32.55 58.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.543 -179.657 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 40.1 p90 -63.66 -15.71 59.04 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.447 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.521 ' CZ ' ' HB2' ' A' ' 90' ' ' ALA . 0.3 OUTLIER -94.75 -61.14 1.55 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.72 0.295 . . . . 0.0 110.958 -179.67 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 18.8 m -144.46 95.39 2.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.983 179.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.492 ' HB2' ' HA ' ' A' ' 101' ' ' ALA . 0.0 OUTLIER -150.36 -172.16 4.1 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.028 0.442 . . . . 0.0 111.546 179.901 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 . . . . . 0 N--CA 1.466 0.374 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.535 -179.785 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 19.3 mttt . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.895 0.378 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.473 ' CE1' ' HB ' ' A' ' 87' ' ' ILE . 4.0 p90 -127.54 -177.33 4.05 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.807 179.753 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -116.97 118.23 31.86 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.942 0.401 . . . . 0.0 111.096 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.806 ' HB2' HD13 ' A' ' 87' ' ' ILE . 7.4 t0 -102.36 98.04 8.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.391 179.65 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.589 ' CD2' HD23 ' A' ' 82' ' ' LEU . 5.9 p80 -46.95 -48.04 21.61 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.673 -179.367 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.589 HD23 ' CD2' ' A' ' 81' ' ' HIS . 0.2 OUTLIER -52.36 -25.24 9.24 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.875 0.369 . . . . 0.0 110.879 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.433 HD12 HG12 ' A' ' 87' ' ' ILE . 33.6 mt -104.43 -21.43 13.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.803 179.724 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.43 ' CG ' ' O ' ' A' ' 83' ' ' LEU . 0.1 OUTLIER 64.06 16.1 9.72 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.4 -179.622 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -126.9 -179.19 4.71 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.588 179.772 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 15.6 p -103.97 101.99 11.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.656 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.806 HD13 ' HB2' ' A' ' 80' ' ' ASP . 3.0 mp -95.87 159.17 2.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.118 -179.71 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.482 ' N ' HG22 ' A' ' 87' ' ' ILE . 0.2 OUTLIER -82.32 165.84 20.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.129 -179.908 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 90.4 m -102.49 -37.78 7.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.764 ' HB2' ' CZ ' ' A' ' 103' ' ' PHE . . . -54.43 -42.58 70.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.312 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 34.2 p -65.3 -15.78 62.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.414 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.492 HD11 ' SG ' ' A' ' 100' ' ' CYS . 14.3 pt -118.78 24.7 4.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.584 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.6 m -61.79 121.21 12.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.937 0.398 . . . . 0.0 110.833 179.714 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 108.13 -36.08 4.59 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.924 -0.655 . . . . 0.0 112.231 -179.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -131.9 59.26 1.71 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.845 0.355 . . . . 0.0 110.67 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . 0.469 ' CD2' ' CB ' ' A' ' 100' ' ' CYS . 32.2 p-80 -129.52 157.07 77.53 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.944 -179.757 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.412 ' HD2' ' HB2' ' A' ' 96' ' ' HIS . 22.3 Cg_endo -61.31 -176.88 0.18 Allowed 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.607 2.204 . . . . 0.0 112.232 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.57 -38.5 87.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.083 -179.812 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.39 -36.27 42.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.123 -179.79 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . 0.492 ' SG ' HD11 ' A' ' 92' ' ' ILE . 24.9 m -91.94 13.62 18.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.005 179.692 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -69.21 -16.1 63.54 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.748 0.309 . . . . 0.0 111.657 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 18.6 p90 -79.89 -0.75 36.21 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.637 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.764 ' CZ ' ' HB2' ' A' ' 90' ' ' ALA . 1.1 t80 -104.02 -68.57 0.84 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.752 0.311 . . . . 0.0 111.119 -179.792 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 86.6 m -127.61 75.07 1.57 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.932 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -155.53 -172.79 4.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.955 0.407 . . . . 0.0 111.12 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 6.1 p30 . . . . . 0 C--N 1.331 -0.232 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.457 -179.772 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.175 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.4 171.26 8.21 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 120.744 0.307 . . . . 0.0 110.84 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.483 ' HG2' ' CZ3' ' A' ' 67' ' ' TRP . 91.6 Cg_endo -82.0 4.84 6.73 Favored 'Trans proline' 0 N--CA 1.461 -0.389 0 C-N-CA 122.649 2.232 . . . . 0.0 112.781 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.483 ' CZ3' ' HG2' ' A' ' 66' ' ' PRO . 4.5 m95 -75.31 90.37 2.62 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.827 0.346 . . . . 0.0 110.764 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -145.56 -33.78 0.34 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.495 -179.719 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.538 HD12 ' N ' ' A' ' 69' ' ' LEU . 3.6 mp -88.9 20.21 3.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.501 -179.69 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.6 t -73.18 165.36 25.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.82 0.343 . . . . 0.0 110.975 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 23.9 p -135.46 141.95 45.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.722 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 14.1 mtm180 -118.12 95.46 4.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.097 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.63 -32.7 13.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.571 179.534 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -119.99 -165.39 1.17 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.748 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.74 -39.36 31.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.975 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -115.22 133.46 10.98 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.449 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 44.5 mttt -160.06 -177.9 6.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.817 0.342 . . . . 0.0 111.057 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.494 ' CE1' ' HB ' ' A' ' 87' ' ' ILE . 3.2 p90 -165.13 167.41 18.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -112.94 116.37 29.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.833 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.921 ' HB2' HD13 ' A' ' 87' ' ' ILE . 2.0 t0 -88.89 104.91 17.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.583 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 26.3 t60 -51.55 -60.34 3.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.848 -179.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.524 ' H ' HD23 ' A' ' 82' ' ' LEU . 0.2 OUTLIER -46.81 -28.3 1.51 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.52 -179.491 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.434 ' HB2' ' HB3' ' A' ' 80' ' ' ASP . 76.4 mt -94.09 -28.13 15.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.923 0.392 . . . . 0.0 111.019 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 7.1 ttt-85 69.13 12.28 8.46 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.999 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -120.81 -179.36 3.98 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.602 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 7.8 p -103.73 109.91 21.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.38 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.921 HD13 ' HB2' ' A' ' 80' ' ' ASP . 2.6 mp -107.23 150.43 9.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.235 -179.337 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.22 168.32 11.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.918 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 75.1 m -108.0 -30.66 8.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.983 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.913 ' HB2' ' CZ ' ' A' ' 103' ' ' PHE . . . -74.81 -31.22 61.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.206 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.59 -24.81 60.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.153 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.523 HD12 ' CB ' ' A' ' 96' ' ' HIS . 11.3 pt -110.22 26.47 2.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.608 -179.737 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.6 m -60.84 123.89 18.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.946 0.403 . . . . 0.0 110.846 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 103.4 -28.65 14.72 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.24 -179.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -138.88 60.12 1.6 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.007 0.432 . . . . 0.0 110.599 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.523 ' CB ' HD12 ' A' ' 92' ' ' ILE . 30.3 p-80 -132.12 157.06 79.24 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.107 -179.649 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.403 ' HD2' ' HB2' ' A' ' 96' ' ' HIS . 19.8 Cg_endo -58.45 -176.62 0.09 OUTLIER 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.603 2.202 . . . . 0.0 112.065 179.703 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.67 -34.11 75.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.25 -179.652 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.423 ' O ' ' CE2' ' A' ' 102' ' ' TYR . 0.0 OUTLIER -54.85 -37.5 66.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.3 -179.736 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.452 ' CB ' ' CD2' ' A' ' 96' ' ' HIS . 35.3 m -90.92 14.93 12.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.388 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.403 ' HA ' ' HB2' ' A' ' 105' ' ' GLU . . . -68.19 -25.92 65.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.799 0.333 . . . . 0.0 111.404 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.423 ' CE2' ' O ' ' A' ' 99' ' ' GLN . 13.0 p90 -68.23 -10.77 56.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.586 -179.699 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.913 ' CZ ' ' HB2' ' A' ' 90' ' ' ALA . 1.0 OUTLIER -94.58 -69.23 0.76 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.701 0.286 . . . . 0.0 111.233 -179.756 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 76.2 m -126.97 79.48 1.88 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.116 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.403 ' HB2' ' HA ' ' A' ' 101' ' ' ALA . 3.2 mt-10 -166.27 -173.41 2.55 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.886 0.374 . . . . 0.0 111.098 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -53.74 -30.84 46.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.219 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.89 -36.62 72.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.211 -179.73 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -132.41 -69.12 0.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.933 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 2.3 ttt85 . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.366 -0.826 . . . . 0.0 110.917 -179.979 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.238 0 N-CA-C 112.423 -0.271 . . . . 0.0 112.423 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 57.8 p -61.77 162.83 14.55 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 120.635 0.255 . . . . 0.0 110.82 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.467 ' HG2' ' CZ3' ' A' ' 67' ' ' TRP . 93.6 Cg_endo -89.93 23.93 0.66 Allowed 'Trans proline' 0 N--CA 1.457 -0.66 0 C-N-CA 122.888 2.392 . . . . 0.0 112.755 -179.767 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.467 ' CZ3' ' HG2' ' A' ' 66' ' ' PRO . 4.4 m95 -97.41 36.2 1.51 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.879 0.371 . . . . 0.0 110.785 179.761 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.5 m -164.01 46.02 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.34 -52.71 62.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.919 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 54.1 p -173.61 49.75 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 83.9 m -119.87 -179.82 4.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.929 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -84.28 157.22 21.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.803 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.05 8.23 33.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.385 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.55 137.77 57.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.816 0.341 . . . . 0.0 110.857 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 8.8 mp0 -80.16 -2.23 43.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.426 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -85.08 5.98 80.98 Favored Glycine 0 C--N 1.332 0.318 0 C-N-CA 120.587 -0.816 . . . . 0.0 112.877 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 27.5 mttt -137.32 150.62 47.89 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.784 0.326 . . . . 0.0 110.876 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.484 ' HE2' HD11 ' A' ' 92' ' ' ILE . 36.7 p90 -118.64 169.64 9.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.763 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -117.19 130.88 56.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.857 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.69 ' HB2' HD13 ' A' ' 87' ' ' ILE . 38.3 t0 -104.92 121.07 42.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.645 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 56.2 p-80 -69.13 -49.14 59.69 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.682 -179.39 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -54.96 -23.07 17.32 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.661 0.267 . . . . 0.0 111.225 -179.792 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 24.1 mt -102.22 -25.12 13.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.965 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 69.43 15.8 8.31 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.005 -179.731 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -124.83 175.77 7.05 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.716 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 7.9 m -103.65 98.52 8.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.457 179.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.69 HD13 ' HB2' ' A' ' 80' ' ' ASP . 3.4 mp -89.07 123.96 41.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.31 -179.521 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.5 p -77.9 168.73 19.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.825 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 14.7 m -93.53 -43.36 8.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.91 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.858 ' HB2' ' CE2' ' A' ' 103' ' ' PHE . . . -64.84 -29.49 70.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.366 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 41.9 t -72.4 -16.52 61.84 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.507 -179.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.484 HD11 ' HE2' ' A' ' 78' ' ' PHE . 10.5 pt -118.4 25.37 4.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 N-CA-C 111.666 0.247 . . . . 0.0 111.666 -179.701 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.6 m -57.5 116.8 3.59 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.973 0.416 . . . . 0.0 111.02 179.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 122.72 -47.99 0.98 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.096 -179.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -130.55 65.1 1.54 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.025 0.441 . . . . 0.0 110.444 179.609 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.457 ' HB2' ' HD2' ' A' ' 97' ' ' PRO . 1.9 p-80 -126.2 159.27 63.25 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.026 -179.554 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.457 ' HD2' ' HB2' ' A' ' 96' ' ' HIS . 20.5 Cg_endo -60.78 170.06 5.0 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.534 2.156 . . . . 0.0 112.245 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.2 -26.68 61.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.252 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.406 ' O ' ' CE2' ' A' ' 102' ' ' TYR . 1.3 tt0 -61.6 -35.83 78.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.444 -0.343 . . . . 0.0 111.182 -179.724 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.437 ' HB2' ' CG ' ' A' ' 96' ' ' HIS . 81.2 m -94.53 24.42 4.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.171 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -78.22 -19.8 53.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.561 -0.291 . . . . 0.0 111.537 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.406 ' CE2' ' O ' ' A' ' 99' ' ' GLN . 28.1 p90 -76.3 -5.1 45.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.619 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.858 ' CE2' ' HB2' ' A' ' 90' ' ' ALA . 0.7 OUTLIER -100.65 -69.16 0.78 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.842 0.353 . . . . 0.0 111.05 -179.722 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 60.6 m -129.5 85.09 2.27 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.565 179.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -160.88 -172.84 3.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.024 0.44 . . . . 0.0 111.167 -179.82 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -49.88 -35.78 24.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.34 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 19.6 mtmt -64.83 -44.35 90.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.895 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -140.98 103.05 4.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.843 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.297 -0.858 . . . . 0.0 110.885 -179.97 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.212 0 N-CA-C 112.558 -0.217 . . . . 0.0 112.558 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.1 p -79.72 153.36 75.63 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 120.81 0.338 . . . . 0.0 110.957 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.49 ' HG2' ' CE3' ' A' ' 67' ' ' TRP . 35.2 Cg_endo -64.64 -49.19 3.39 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.682 2.254 . . . . 0.0 112.345 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.49 ' CE3' ' HG2' ' A' ' 66' ' ' PRO . 10.6 p90 -108.38 125.44 51.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.966 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -174.93 -63.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.819 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.1 pp -106.17 -15.96 14.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.123 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.1 t -58.54 -41.16 84.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.771 0.319 . . . . 0.0 111.095 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 4.2 t -108.08 165.23 11.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.937 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 7.7 mpt_? -59.24 176.17 0.26 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.043 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.3 mmpt? -94.03 8.04 42.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.495 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -59.59 120.96 10.41 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.888 0.375 . . . . 0.0 110.933 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -63.88 -17.71 63.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.21 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -92.75 25.76 17.57 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.671 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.1 mttp -139.91 142.31 36.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.891 0.377 . . . . 0.0 110.727 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.427 ' CE1' ' HB ' ' A' ' 87' ' ' ILE . 34.1 p90 -132.48 172.21 12.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.073 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.438 ' CG ' ' HB3' ' A' ' 67' ' ' TRP . 6.2 t80 -117.12 121.05 40.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.721 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.702 ' HB2' HD13 ' A' ' 87' ' ' ILE . 43.9 t0 -93.42 120.01 33.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.622 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 8.1 p80 -66.96 -48.88 67.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.539 -179.381 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -57.11 -21.91 35.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.71 0.29 . . . . 0.0 111.31 -179.737 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.402 ' O ' ' HB2' ' A' ' 84' ' ' ARG . 32.1 mt -105.59 -23.29 12.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.089 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.402 ' HB2' ' O ' ' A' ' 83' ' ' LEU . 4.3 mmt180 66.7 16.73 10.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.957 -179.644 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -122.87 175.92 6.28 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.71 179.775 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 19.8 t -103.71 99.46 9.25 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.944 0.402 . . . . 0.0 110.57 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.702 HD13 ' HB2' ' A' ' 80' ' ' ASP . 3.1 mp -97.84 134.2 36.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.408 -179.343 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.2 m -91.62 168.81 11.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.571 179.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 23.7 m -93.46 -54.04 3.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.797 0.332 . . . . 0.0 110.904 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.875 ' HB2' ' CE2' ' A' ' 103' ' ' PHE . . . -55.09 -28.55 53.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.46 -179.762 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.34 -2.01 47.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.746 -179.689 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.424 ' CG1' ' HB3' ' A' ' 96' ' ' HIS . 6.1 pt -128.82 25.39 2.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 N-CA-C 111.79 0.292 . . . . 0.0 111.79 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.6 m -58.03 116.93 3.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.917 0.389 . . . . 0.0 110.893 179.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 118.71 -43.43 1.59 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.98 -0.629 . . . . 0.0 112.072 -179.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -131.41 65.15 1.57 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.976 0.417 . . . . 0.0 110.33 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.509 ' HB2' ' HD2' ' A' ' 97' ' ' PRO . 1.9 p-80 -131.98 160.16 68.97 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.285 -179.408 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.509 ' HD2' ' HB2' ' A' ' 96' ' ' HIS . 24.1 Cg_endo -61.4 -177.03 0.19 Allowed 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.676 2.251 . . . . 0.0 112.428 179.8 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 8.8 ttpt -64.92 -40.49 95.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.403 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.427 ' O ' ' CE2' ' A' ' 102' ' ' TYR . 0.0 OUTLIER -54.0 -31.37 50.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.473 -179.504 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.426 ' HB2' ' CG ' ' A' ' 96' ' ' HIS . 70.8 m -94.04 19.79 8.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.532 -0.303 . . . . 0.0 111.076 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.512 ' HB2' ' OE2' ' A' ' 105' ' ' GLU . . . -78.42 -26.12 46.25 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.789 0.328 . . . . 0.0 111.659 -179.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.427 ' CE2' ' O ' ' A' ' 99' ' ' GLN . 26.4 p90 -66.96 -12.44 59.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.542 -179.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.875 ' CE2' ' HB2' ' A' ' 90' ' ' ALA . 0.6 OUTLIER -94.48 -69.88 0.73 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.713 0.292 . . . . 0.0 111.014 -179.692 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 58.0 m -129.34 92.03 3.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.752 179.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.512 ' OE2' ' HB2' ' A' ' 101' ' ' ALA . 1.6 mt-10 -165.83 -172.83 2.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.936 0.398 . . . . 0.0 111.068 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -46.41 -49.83 17.51 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.289 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.15 141.61 47.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.943 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.628 HD12 ' HB2' ' A' ' 109' ' ' ARG . 0.6 OUTLIER -157.74 -45.59 0.06 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.078 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.628 ' HB2' HD12 ' A' ' 108' ' ' LEU . 1.2 mtp180 . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.197 -0.906 . . . . 0.0 110.765 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.214 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.424 ' HA ' ' HD2' ' A' ' 66' ' ' PRO . 32.7 p -105.61 103.29 42.67 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 120.529 0.204 . . . . 0.0 110.873 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.432 ' HB2' ' CE3' ' A' ' 67' ' ' TRP . 19.3 Cg_endo -59.94 -67.27 0.05 OUTLIER 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.323 2.015 . . . . 0.0 112.299 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.432 ' CE3' ' HB2' ' A' ' 66' ' ' PRO . 5.6 m-90 -106.73 168.44 9.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.965 179.814 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 11.2 t -176.68 49.85 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.824 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.23 -25.97 15.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.026 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.5 m -88.74 51.6 2.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.905 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 1.7 m -163.04 -175.46 4.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.152 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -112.38 176.53 4.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.861 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.68 -15.95 44.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.566 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -44.19 140.21 2.26 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.83 0.347 . . . . 0.0 111.331 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -80.23 -30.76 38.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.075 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -76.32 60.51 3.18 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.544 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.7 mmtm -151.61 162.59 40.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.84 0.352 . . . . 0.0 110.863 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.533 ' CZ ' ' HB ' ' A' ' 87' ' ' ILE . 19.5 p90 -159.28 168.18 27.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.768 179.673 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.414 ' CE2' ' HB2' ' A' ' 67' ' ' TRP . 7.8 t80 -117.06 126.79 53.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.135 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.585 ' CB ' HD13 ' A' ' 87' ' ' ILE . 9.0 t0 -96.37 119.66 35.26 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.2 179.488 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.415 ' CG ' ' N ' ' A' ' 82' ' ' LEU . 39.8 p-80 -67.58 -49.14 64.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.956 -179.003 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.415 ' N ' ' CG ' ' A' ' 81' ' ' HIS . 0.5 OUTLIER -62.88 -16.02 57.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.611 0.244 . . . . 0.0 111.451 -179.58 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.414 ' HB2' ' HB3' ' A' ' 80' ' ' ASP . 45.8 mt -105.03 -24.87 12.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.774 0.321 . . . . 0.0 111.167 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 67.62 14.73 9.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.242 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -123.14 172.04 8.87 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.794 0.331 . . . . 0.0 110.776 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 37.5 t -103.61 97.55 7.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.386 179.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.633 ' N ' HD12 ' A' ' 87' ' ' ILE . 3.2 mp -84.64 148.83 4.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.241 -179.451 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.0 m -92.45 168.05 11.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.917 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 66.3 m -107.27 -48.17 3.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.084 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.866 ' HB2' ' CE2' ' A' ' 103' ' ' PHE . . . -57.38 -30.66 65.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.282 -179.785 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.12 -21.09 59.09 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.258 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 7.9 pt -115.3 24.0 5.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.621 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . 0.464 ' HA ' ' CE1' ' A' ' 96' ' ' HIS . 1.6 m -62.48 116.71 5.34 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.975 0.417 . . . . 0.0 110.878 179.699 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 114.4 -28.28 8.36 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.94 -0.648 . . . . 0.0 112.328 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 20.9 mm-40 -140.01 49.04 1.77 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.975 0.417 . . . . 0.0 110.651 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.469 ' HB2' ' HD2' ' A' ' 97' ' ' PRO . 1.9 p-80 -121.14 159.21 50.49 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.844 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.469 ' HD2' ' HB2' ' A' ' 96' ' ' HIS . 31.3 Cg_endo -63.95 179.59 1.04 Allowed 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.477 2.118 . . . . 0.0 112.107 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 5.6 ttpt -62.93 -24.26 67.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.283 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -60.99 -39.61 90.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.142 -179.785 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 64.0 m -94.3 27.36 2.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.167 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -77.11 -31.23 55.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.823 0.344 . . . . 0.0 111.135 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 29.4 p90 -60.9 -20.05 61.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.204 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.866 ' CE2' ' HB2' ' A' ' 90' ' ' ALA . 0.3 OUTLIER -86.71 -69.9 0.64 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.134 -179.633 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 24.8 m -132.53 95.46 3.62 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.921 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -166.07 -175.64 3.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.928 0.394 . . . . 0.0 111.052 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -58.46 86.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.177 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.407 ' HG3' ' N ' ' A' ' 108' ' ' LEU . 16.5 ptmt -179.14 -36.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.006 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.407 ' N ' ' HG3' ' A' ' 107' ' ' LYS . 0.2 OUTLIER -112.34 64.93 0.63 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.984 -179.755 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 3.0 mtp180 . . . . . 0 C--O 1.25 1.129 0 CA-C-O 118.188 -0.911 . . . . 0.0 110.86 179.854 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.239 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 12.2 t -150.82 136.86 10.88 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 120.628 0.252 . . . . 0.0 110.881 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -79.55 -35.35 0.82 Allowed 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.535 2.156 . . . . 0.0 112.875 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 10.3 m-90 -118.93 -82.15 0.64 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.687 0.279 . . . . 0.0 111.552 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 94.5 p -87.4 111.01 20.68 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.875 0.369 . . . . 0.0 111.273 -179.49 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.4 -27.75 62.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.027 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 38.3 m -57.08 103.51 0.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.025 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 53.7 m -133.41 -178.71 5.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.953 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.1 mtp180 -60.6 159.95 9.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 15.6 tttt -83.87 -26.12 29.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.095 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -57.39 145.67 31.83 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.019 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.28 -60.81 2.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.972 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -63.65 84.5 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.523 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.65 135.43 12.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.79 0.328 . . . . 0.0 110.827 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.5 ' CE1' ' HB ' ' A' ' 87' ' ' ILE . 4.6 p90 -117.35 164.45 14.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.963 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -112.01 130.72 55.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.998 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.67 ' HB2' HD13 ' A' ' 87' ' ' ILE . 37.3 t0 -106.49 112.3 25.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.579 179.787 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.539 ' CE1' HD23 ' A' ' 82' ' ' LEU . 54.1 p-80 -61.8 -48.82 78.9 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.804 -179.286 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.539 HD23 ' CE1' ' A' ' 81' ' ' HIS . 0.4 OUTLIER -54.89 -23.3 18.03 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.704 0.287 . . . . 0.0 111.237 -179.784 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 36.4 mt -102.78 -24.03 13.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.078 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 10.3 mtt180 67.6 14.52 9.57 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.18 -179.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -123.42 175.81 6.52 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.645 179.738 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 1.7 m -103.72 103.93 13.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.312 179.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.682 ' N ' HD12 ' A' ' 87' ' ' ILE . 2.9 mp -97.72 156.0 3.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.484 -179.281 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.448 ' N ' HG22 ' A' ' 87' ' ' ILE . 3.6 m -93.18 163.19 13.72 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.69 179.801 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 56.0 m -106.94 -33.47 7.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.82 0.343 . . . . 0.0 111.039 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.889 ' HB2' ' CE2' ' A' ' 103' ' ' PHE . . . -71.82 -23.66 61.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.359 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.24 -19.9 35.54 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.364 -179.672 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.535 HD12 ' CB ' ' A' ' 96' ' ' HIS . 14.6 pt -113.8 25.22 4.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 111.699 0.259 . . . . 0.0 111.699 -179.671 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . 0.458 ' HA ' ' CE1' ' A' ' 96' ' ' HIS . 1.6 m -64.35 116.71 6.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.951 0.405 . . . . 0.0 110.878 179.714 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 118.64 -28.59 6.69 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.271 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.51 56.9 1.23 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.983 0.42 . . . . 0.0 110.473 179.801 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.535 ' CB ' HD12 ' A' ' 92' ' ' ILE . 1.8 p-80 -124.29 159.71 55.98 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.052 -179.688 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.453 ' HD2' ' HB2' ' A' ' 96' ' ' HIS . 34.5 Cg_endo -64.79 -177.0 0.49 Allowed 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.483 2.122 . . . . 0.0 112.154 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 6.0 ttpt -63.61 -29.46 70.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.107 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.6 -37.93 71.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.173 -179.775 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.47 ' SG ' HD11 ' A' ' 92' ' ' ILE . 87.0 m -98.64 26.99 5.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.171 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -78.7 -21.95 47.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.352 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 29.4 p90 -72.11 -24.39 61.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.216 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.889 ' CE2' ' HB2' ' A' ' 90' ' ' ALA . 0.3 OUTLIER -80.1 -70.25 0.53 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.048 -179.624 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 18.6 m -132.69 96.43 3.81 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.77 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -166.15 -172.7 2.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.955 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -49.76 -29.59 8.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.168 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -125.25 126.9 45.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.916 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 1.8 pp -159.07 163.26 36.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.943 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 1.9 mmt85 . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.265 -0.874 . . . . 0.0 110.931 -179.93 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.193 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 57.7 m -96.57 137.86 21.47 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 120.655 0.264 . . . . 0.0 110.889 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -54.55 -55.08 3.62 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.383 2.056 . . . . 0.0 112.249 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 17.5 m-90 -62.76 179.48 0.35 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.961 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 28.3 t -178.44 -36.32 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.956 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.7 pp -83.91 4.36 29.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.517 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 26.4 m -95.67 38.22 1.17 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.828 0.347 . . . . 0.0 110.966 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 1.8 m -129.52 151.9 49.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.825 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 9.6 mtm180 -65.46 169.49 5.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.868 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.73 -20.82 52.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.228 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -52.24 114.83 1.46 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.841 0.353 . . . . 0.0 111.109 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -65.96 -38.58 88.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.83 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -79.92 61.47 4.31 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.478 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -158.49 146.03 17.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.769 0.319 . . . . 0.0 110.941 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.471 ' CE1' ' HB ' ' A' ' 87' ' ' ILE . 2.7 p90 -126.95 169.19 13.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.947 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -109.98 133.93 52.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.825 179.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.545 ' CB ' HD13 ' A' ' 87' ' ' ILE . 5.7 t0 -106.87 141.7 37.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.387 179.65 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 38.8 p-80 -82.51 -52.16 7.11 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.655 -179.321 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.449 ' H ' HD23 ' A' ' 82' ' ' LEU . 0.6 OUTLIER -60.84 -17.84 52.25 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.619 0.247 . . . . 0.0 111.213 -179.804 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.407 ' HB2' ' HB3' ' A' ' 80' ' ' ASP . 45.2 mt -101.51 -27.78 12.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.862 0.363 . . . . 0.0 110.858 179.668 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? 65.47 18.42 11.29 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.959 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -131.22 -179.81 5.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.735 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 31.8 t -103.93 109.71 21.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.49 179.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.643 ' N ' HD12 ' A' ' 87' ' ' ILE . 3.4 mp -106.66 160.65 6.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.293 -179.44 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.511 ' N ' HG22 ' A' ' 87' ' ' ILE . 0.9 OUTLIER -94.8 168.15 10.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.392 179.599 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 68.6 m -104.8 -27.79 11.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.135 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.759 ' HB2' ' CE2' ' A' ' 103' ' ' PHE . . . -74.25 -23.03 59.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.352 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -86.44 -22.47 26.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.422 -179.766 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.74 HD11 ' SG ' ' A' ' 100' ' ' CYS . 18.7 pt -108.06 23.61 3.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.574 -179.744 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . 0.493 ' HA ' ' CE1' ' A' ' 96' ' ' HIS . 1.6 m -66.46 116.82 7.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.963 0.411 . . . . 0.0 111.067 179.775 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 124.81 -36.78 2.76 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.921 -0.657 . . . . 0.0 112.331 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -143.08 58.4 1.41 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.926 0.393 . . . . 0.0 110.662 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.493 ' CE1' ' HA ' ' A' ' 93' ' ' CYS . 1.6 p-80 -120.59 160.31 44.69 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.008 -179.748 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.469 ' HD2' ' HB2' ' A' ' 96' ' ' HIS . 40.8 Cg_endo -67.77 176.29 5.33 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.394 2.062 . . . . 0.0 112.076 179.751 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.03 -27.95 64.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.191 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.405 ' HG2' ' CD2' ' A' ' 78' ' ' PHE . 0.8 OUTLIER -56.39 -42.32 77.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.172 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.74 ' SG ' HD11 ' A' ' 92' ' ' ILE . 55.0 m -95.5 24.62 5.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.936 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.463 ' HA ' ' HB2' ' A' ' 105' ' ' GLU . . . -76.26 -17.58 59.41 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.366 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 25.8 p90 -77.63 -3.35 40.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.499 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.759 ' CE2' ' HB2' ' A' ' 90' ' ' ALA . 0.3 OUTLIER -103.35 -69.26 0.8 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.78 0.324 . . . . 0.0 110.804 -179.637 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 13.1 m -134.31 84.94 2.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.547 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.686 ' O ' HD23 ' A' ' 108' ' ' LEU . 0.0 OUTLIER -146.11 -173.37 4.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.022 0.439 . . . . 0.0 111.2 -179.727 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -68.16 76.12 0.24 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.946 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.66 -41.88 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.31 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.686 HD23 ' O ' ' A' ' 105' ' ' GLU . 0.6 OUTLIER -65.13 139.41 58.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.817 0.342 . . . . 0.0 110.879 -179.907 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.262 -0.875 . . . . 0.0 110.926 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.246 0 N-CA-C 112.511 -0.235 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 18.3 p -91.87 101.63 4.89 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 120.503 0.192 . . . . 0.0 110.871 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.403 ' HG2' ' CE3' ' A' ' 67' ' ' TRP . 18.7 Cg_endo -58.54 -54.17 3.22 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.39 2.06 . . . . 0.0 112.317 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.403 ' CE3' ' HG2' ' A' ' 66' ' ' PRO . 21.6 m-90 -110.29 111.11 22.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.92 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.4 p -99.5 37.52 1.57 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -106.04 -22.75 12.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.174 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 43.9 m -74.24 -74.75 0.18 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.187 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 1.9 p -155.25 135.78 13.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.087 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.4 ptp180 -118.05 96.39 5.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.821 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.9 mttt -61.02 -59.03 6.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.06 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -175.55 175.36 2.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.947 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -59.47 -27.46 66.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -92.39 43.72 2.64 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.557 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.2 mptt -144.97 174.77 10.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.739 0.304 . . . . 0.0 110.962 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.469 ' CZ ' ' HB ' ' A' ' 87' ' ' ILE . 26.9 p90 -144.42 167.06 23.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.07 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -117.43 125.9 51.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.485 179.542 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.609 ' CB ' HD13 ' A' ' 87' ' ' ILE . 65.3 t0 -95.45 126.14 40.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.76 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 56.7 p-80 -71.44 -49.04 45.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.624 -179.403 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.42 -20.42 44.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.201 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 47.6 mt -104.93 -25.03 12.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.891 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 4.4 tmm_? 65.41 16.67 10.64 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.101 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -120.15 175.6 5.86 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.809 0.338 . . . . 0.0 110.758 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 5.3 p -103.87 94.17 5.27 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.585 179.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.609 HD13 ' CB ' ' A' ' 80' ' ' ASP . 3.8 mp -84.46 148.46 4.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.085 -179.734 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.54 168.17 9.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.805 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 71.9 m -100.81 -45.08 5.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.07 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.449 ' HB2' ' CZ ' ' A' ' 103' ' ' PHE . . . -53.11 -26.06 15.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.435 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.21 -24.25 34.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.292 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 7.3 pt -113.0 22.26 5.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.563 -0.289 . . . . 0.0 111.659 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . 0.442 ' HA ' ' CE1' ' A' ' 96' ' ' HIS . 1.6 m -60.51 116.93 4.7 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.934 0.397 . . . . 0.0 111.065 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 118.12 -34.22 4.54 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.909 -0.663 . . . . 0.0 112.256 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -139.03 57.58 1.66 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.886 0.374 . . . . 0.0 110.713 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.442 ' CE1' ' HA ' ' A' ' 93' ' ' CYS . 2.0 p-80 -126.94 155.69 75.27 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.144 -179.786 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -63.52 175.52 2.75 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.646 2.231 . . . . 0.0 112.127 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.15 -25.0 60.94 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.978 179.795 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.412 ' O ' ' CE2' ' A' ' 102' ' ' TYR . 0.1 OUTLIER -60.49 -17.99 48.76 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.022 179.754 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 53.7 m -122.01 16.44 10.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.902 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.449 ' HA ' ' HB2' ' A' ' 105' ' ' GLU . . . -69.85 -20.55 63.41 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.705 -179.715 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.412 ' CE2' ' O ' ' A' ' 99' ' ' GLN . 13.6 p90 -76.84 -13.45 60.0 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 111.812 0.301 . . . . 0.0 111.812 -179.661 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.449 ' CZ ' ' HB2' ' A' ' 90' ' ' ALA . 0.7 OUTLIER -89.52 -68.63 0.76 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.763 0.316 . . . . 0.0 110.931 -179.734 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 57.0 m -128.95 81.27 2.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.754 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.449 ' HB2' ' HA ' ' A' ' 101' ' ' ALA . 0.0 OUTLIER -166.19 -173.0 2.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.948 0.404 . . . . 0.0 111.251 -179.931 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -51.71 -29.7 19.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.259 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 33.1 mtpt -73.65 -28.24 61.68 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.082 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -151.5 102.36 2.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.022 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 3.4 mtm-85 . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.194 -0.908 . . . . 0.0 110.831 179.992 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.195 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.9 m -127.15 81.46 69.92 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 120.7 0.286 . . . . 0.0 110.896 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.497 ' HB2' ' CE3' ' A' ' 67' ' ' TRP . 25.6 Cg_exo -62.39 -65.43 0.06 OUTLIER 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.574 2.183 . . . . 0.0 112.179 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.497 ' CE3' ' HB2' ' A' ' 66' ' ' PRO . 17.4 m-90 -102.17 -65.16 1.0 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.895 0.379 . . . . 0.0 110.825 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.82 112.23 2.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.004 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.6 mt -104.47 -27.49 11.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.949 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 20.7 t -111.56 147.53 35.2 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.009 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 4.6 t -163.02 166.9 23.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.65 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 7.0 mtt180 -57.66 171.21 0.49 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.061 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.9 ptpt -83.63 -16.79 43.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.417 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.59 118.28 2.97 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-O 120.863 0.364 . . . . 0.0 111.13 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -59.71 -33.66 71.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.965 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -76.34 62.47 3.04 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.415 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.0 mttm -141.32 123.1 15.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.916 0.389 . . . . 0.0 110.931 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.615 ' HE1' HD11 ' A' ' 92' ' ' ILE . 50.5 p90 -113.47 177.45 4.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.863 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -117.47 125.63 51.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.927 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.566 ' HB2' HD13 ' A' ' 87' ' ' ILE . 43.6 t0 -111.95 111.76 22.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.597 179.649 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.405 ' CG ' ' N ' ' A' ' 82' ' ' LEU . 36.7 p-80 -53.46 -49.11 68.12 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.961 -179.255 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.405 ' N ' ' CG ' ' A' ' 81' ' ' HIS . 1.9 pp -56.45 -21.83 28.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.667 0.27 . . . . 0.0 111.324 -179.686 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.525 HD12 ' CD1' ' A' ' 87' ' ' ILE . 23.8 mt -103.02 -25.4 13.45 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.929 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 66.16 18.53 10.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.179 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -134.03 178.6 6.83 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.771 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 9.0 p -103.43 98.01 7.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.24 179.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.566 HD13 ' HB2' ' A' ' 80' ' ' ASP . 4.6 mp -83.73 146.74 6.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.817 -0.628 . . . . 0.0 111.371 -179.252 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -85.84 168.14 14.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.024 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 62.5 m -102.36 -44.86 5.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.934 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.89 ' HB2' ' CZ ' ' A' ' 103' ' ' PHE . . . -57.63 -34.91 69.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.26 -179.776 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 77.5 p -70.86 -17.24 62.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.486 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.615 HD11 ' HE1' ' A' ' 78' ' ' PHE . 6.3 pt -120.71 24.6 4.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 N-CA-C 111.688 0.255 . . . . 0.0 111.688 -179.76 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . 0.453 ' HA ' ' CE1' ' A' ' 96' ' ' HIS . 1.6 m -61.33 116.72 4.85 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.955 0.407 . . . . 0.0 110.875 179.564 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 112.28 -28.07 9.51 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.353 -179.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -137.68 46.94 2.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.929 0.395 . . . . 0.0 110.697 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.518 ' CB ' HD12 ' A' ' 92' ' ' ILE . 2.0 p-80 -120.9 159.81 47.43 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.96 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.465 ' HD2' ' HB2' ' A' ' 96' ' ' HIS . 29.1 Cg_endo -63.29 171.61 6.29 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.436 2.091 . . . . 0.0 111.998 179.773 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.6 ttpt -57.32 -25.05 58.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.331 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -60.81 -35.33 76.22 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.309 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.455 ' HB2' ' CG ' ' A' ' 96' ' ' HIS . 63.5 m -94.16 26.69 3.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.031 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.412 ' HA ' ' HB2' ' A' ' 105' ' ' GLU . . . -75.85 -30.02 58.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.925 0.393 . . . . 0.0 111.305 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 30.9 p90 -63.85 -16.96 62.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.278 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.89 ' CZ ' ' HB2' ' A' ' 90' ' ' ALA . 0.4 OUTLIER -90.04 -68.53 0.78 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.772 0.32 . . . . 0.0 110.881 -179.816 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 35.2 m -133.77 95.69 3.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.81 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.412 ' HB2' ' HA ' ' A' ' 101' ' ' ALA . 2.3 mm-40 -165.52 -172.9 2.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.124 0.487 . . . . 0.0 111.38 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -57.9 -23.07 51.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.396 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -94.31 36.63 1.13 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.838 0.351 . . . . 0.0 111.213 -179.806 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -179.08 43.07 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.891 0.377 . . . . 0.0 110.85 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 10.8 ttt-85 . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.224 -0.894 . . . . 0.0 110.886 -179.991 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.226 0 N-CA-C 112.435 -0.266 . . . . 0.0 112.435 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 78.7 p -110.09 127.42 27.1 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 120.48 0.181 . . . . 0.0 110.777 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.473 ' HB2' ' CD2' ' A' ' 67' ' ' TRP . 18.7 Cg_endo -59.56 -74.53 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.51 2.14 . . . . 0.0 112.358 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.473 ' CD2' ' HB2' ' A' ' 66' ' ' PRO . 0.5 OUTLIER -108.7 83.98 1.85 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.808 0.337 . . . . 0.0 110.807 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.6 t -169.69 137.19 1.7 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -103.45 -55.79 2.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.755 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.18 97.6 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.781 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 43.9 t -106.17 114.72 29.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.897 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -118.5 95.19 4.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.719 179.7 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.5 mmtt -94.67 -57.85 2.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.911 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -158.96 -165.2 1.57 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.825 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -80.01 -41.3 26.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.24 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -96.71 73.67 0.74 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.848 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 12.2 mmtm -140.01 164.72 29.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.709 0.29 . . . . 0.0 110.739 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.454 ' CE1' ' HB ' ' A' ' 87' ' ' ILE . 1.9 p90 -151.08 174.91 12.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.898 0.38 . . . . 0.0 111.085 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -117.21 137.84 52.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.932 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.563 ' CB ' HD13 ' A' ' 87' ' ' ILE . 55.4 t0 -112.7 130.77 55.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.608 179.668 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 69.0 t60 -68.65 -59.9 2.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.448 -179.346 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -48.13 -28.47 2.95 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.746 0.308 . . . . 0.0 111.202 -179.757 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.4 ' HB2' ' HB3' ' A' ' 80' ' ' ASP . 45.0 mt -96.42 -27.11 15.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.794 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 54.2 mtt180 64.4 17.76 10.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.196 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -124.82 -178.97 4.33 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.878 0.37 . . . . 0.0 111.028 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 2.0 p -104.66 100.82 10.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.657 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.639 ' N ' HD12 ' A' ' 87' ' ' ILE . 3.4 mp -94.41 159.36 2.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.249 -179.58 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.509 ' N ' HG22 ' A' ' 87' ' ' ILE . 0.8 OUTLIER -94.97 160.67 14.47 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.086 -179.842 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . 0.475 ' HA ' HD11 ' A' ' 92' ' ' ILE . 1.8 m -110.62 2.1 18.42 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.386 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.45 ' CB ' ' CZ ' ' A' ' 103' ' ' PHE . . . -99.07 -31.78 11.6 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.81 0.338 . . . . 0.0 111.23 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 65.6 p -85.66 -13.95 46.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.308 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.475 HD11 ' HA ' ' A' ' 89' ' ' CYS . 18.5 pt -95.88 26.26 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.626 0.251 . . . . 0.0 111.498 -179.799 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.7 m -60.83 131.71 51.55 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.908 0.385 . . . . 0.0 110.635 179.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 97.16 -25.68 25.96 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.339 -179.636 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.3 mm100 -137.93 40.38 2.34 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.734 0.302 . . . . 0.0 111.174 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.464 ' CE1' ' HB2' ' A' ' 104' ' ' CYS . 23.3 p-80 -100.75 157.72 33.19 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.815 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -65.27 176.85 2.94 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.521 2.147 . . . . 0.0 112.304 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 3.9 ttpt -69.01 -32.01 71.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.023 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -58.54 -41.97 86.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.017 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 7.0 m -100.79 27.75 5.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.107 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.425 ' O ' ' HB2' ' A' ' 105' ' ' GLU . . . -69.15 -15.77 63.49 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.292 179.715 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 16.4 p90 -77.04 -0.38 24.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.265 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.45 ' CZ ' ' CB ' ' A' ' 90' ' ' ALA . 1.5 t80 -93.43 -58.06 2.4 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.641 0.258 . . . . 0.0 111.531 -179.271 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . 0.464 ' HB2' ' CE1' ' A' ' 96' ' ' HIS . 13.0 m -139.25 38.09 2.09 Favored 'General case' 0 CA--C 1.53 0.176 0 N-CA-C 111.73 0.27 . . . . 0.0 111.73 -179.162 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.425 ' HB2' ' O ' ' A' ' 101' ' ' ALA . 1.8 tt0 -117.98 -172.14 2.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.717 0.294 . . . . 0.0 110.757 179.609 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -40.51 -36.04 0.52 Allowed 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.646 -179.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -108.3 170.52 7.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.869 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.467 ' HG ' ' N ' ' A' ' 109' ' ' ARG . 1.4 pt? -175.98 -35.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.266 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.467 ' N ' ' HG ' ' A' ' 108' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.184 -0.912 . . . . 0.0 110.863 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.24 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 7.1 m -158.02 58.88 1.49 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 120.847 0.356 . . . . 0.0 110.969 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.439 ' HG2' ' CE3' ' A' ' 67' ' ' TRP . 15.1 Cg_endo -57.63 -72.66 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.643 2.229 . . . . 0.0 112.3 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.439 ' CE3' ' HG2' ' A' ' 66' ' ' PRO . 13.4 m-90 -88.37 101.32 13.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.827 0.346 . . . . 0.0 110.983 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 12.1 t -115.91 40.57 2.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.2 mp -105.13 -30.05 9.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.93 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 87.1 p -112.27 85.32 2.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.968 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 30.8 m -155.73 152.74 28.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.3 166.9 19.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.969 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 67.1 mttt -69.83 -18.16 63.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.226 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -51.52 155.64 1.49 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.8 0.333 . . . . 0.0 110.988 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.35 -35.88 16.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.024 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -87.63 64.6 3.7 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.636 -0.793 . . . . 0.0 112.599 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 13.9 mttt -143.15 139.74 30.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.791 0.329 . . . . 0.0 110.74 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.438 ' CZ ' ' HB ' ' A' ' 87' ' ' ILE . 39.5 p90 -131.69 173.37 11.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.965 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -115.13 118.17 32.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.672 179.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.848 ' HB2' HD13 ' A' ' 87' ' ' ILE . 11.6 t0 -94.22 116.9 29.36 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.878 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 24.3 p80 -61.32 -49.27 77.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.202 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.401 HD21 ' OD1' ' A' ' 80' ' ' ASP . 0.5 OUTLIER -56.14 -22.11 26.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.445 -179.709 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.432 ' HB2' ' HB3' ' A' ' 80' ' ' ASP . 82.0 mt -104.26 -25.63 12.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.752 0.31 . . . . 0.0 111.267 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 4.3 ttm180 71.64 9.82 6.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.096 -179.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -123.23 -178.87 4.1 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.744 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 9.1 t -103.66 107.08 17.78 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.629 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.848 HD13 ' HB2' ' A' ' 80' ' ' ASP . 3.1 mp -105.93 152.87 7.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.401 -179.463 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -101.06 165.87 11.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.565 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 50.9 m -97.51 -40.09 8.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.869 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.841 ' HB2' ' CE2' ' A' ' 103' ' ' PHE . . . -62.87 -37.18 85.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.131 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.8 m -69.49 -11.56 60.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.636 -179.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.43 HD12 ' CB ' ' A' ' 96' ' ' HIS . 12.5 pt -125.21 24.02 3.39 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 N-CA-C 111.684 0.253 . . . . 0.0 111.684 -179.682 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . 0.45 ' HA ' ' CE1' ' A' ' 96' ' ' HIS . 1.5 m -63.01 117.84 7.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.052 0.453 . . . . 0.0 111.085 179.628 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 118.64 -37.59 3.16 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.171 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -138.27 58.23 1.68 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.983 0.42 . . . . 0.0 110.449 179.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.45 ' CE1' ' HA ' ' A' ' 93' ' ' CYS . 1.6 p-80 -123.04 164.06 29.68 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.146 -179.478 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_exo -56.72 -178.01 0.07 OUTLIER 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.615 2.21 . . . . 0.0 112.115 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.407 ' HE2' ' N ' ' A' ' 99' ' ' GLN . 0.0 OUTLIER -74.6 -17.45 60.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.189 179.897 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.407 ' N ' ' HE2' ' A' ' 98' ' ' LYS . 3.4 pt20 -73.2 -30.56 63.61 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.047 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 68.6 m -94.01 24.08 4.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.996 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.443 ' HA ' ' HB2' ' A' ' 105' ' ' GLU . . . -76.56 -24.33 53.57 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.217 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.406 ' CE2' ' O ' ' A' ' 99' ' ' GLN . 19.9 p90 -69.22 -18.91 63.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.328 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.841 ' CE2' ' HB2' ' A' ' 90' ' ' ALA . 0.3 OUTLIER -88.01 -56.99 3.1 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.747 0.308 . . . . 0.0 110.769 -179.91 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 16.2 m -148.7 101.14 3.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.69 179.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.443 ' HB2' ' HA ' ' A' ' 101' ' ' ALA . 0.0 OUTLIER -164.22 -172.63 2.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.987 0.422 . . . . 0.0 111.165 179.909 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -48.05 -40.04 21.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.304 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -107.8 128.51 54.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.988 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -162.13 124.23 2.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.969 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.158 -0.925 . . . . 0.0 110.94 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.253 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.3 m -56.59 108.4 1.21 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 120.545 0.212 . . . . 0.0 110.963 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.473 ' HG2' ' CE3' ' A' ' 67' ' ' TRP . 38.6 Cg_endo -66.65 -35.56 28.37 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.487 2.125 . . . . 0.0 112.384 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.473 ' CE3' ' HG2' ' A' ' 66' ' ' PRO . 15.3 p90 -130.23 135.65 48.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.107 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -159.7 -90.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.76 179.804 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.1 mt -106.47 20.14 19.44 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.7 0.286 . . . . 0.0 111.083 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 60.5 p -83.0 -30.91 27.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.813 0.34 . . . . 0.0 110.942 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 72.3 m -131.21 -175.4 3.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.956 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 4.6 mtm180 -98.7 168.21 10.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.96 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.7 tttt -90.77 8.44 34.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.326 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 -53.55 129.88 34.08 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-O 120.834 0.35 . . . . 0.0 111.072 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -75.65 -24.25 56.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.106 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -52.86 -23.97 17.48 Favored Glycine 0 C--N 1.331 0.265 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.799 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 19.2 mttt -118.34 169.64 9.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.901 0.381 . . . . 0.0 111.019 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.462 ' CE1' ' HB ' ' A' ' 87' ' ' ILE . 4.1 p90 -131.09 174.12 10.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.692 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.44 ' CE2' ' HB3' ' A' ' 67' ' ' TRP . 7.9 t80 -117.14 135.17 53.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.05 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.59 ' HB2' HD13 ' A' ' 87' ' ' ILE . 36.8 t0 -114.92 111.76 21.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.531 179.755 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.52 ' NE2' HD23 ' A' ' 82' ' ' LEU . 8.0 p80 -55.56 -50.68 69.39 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.88 -179.145 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.52 HD23 ' NE2' ' A' ' 81' ' ' HIS . 0.3 OUTLIER -54.46 -23.41 15.97 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.717 0.294 . . . . 0.0 111.333 -179.603 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 23.2 mt -98.92 -25.39 14.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.821 0.343 . . . . 0.0 110.948 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 66.74 17.48 10.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.1 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 58.9 m-20 -131.53 178.61 6.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.707 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 5.1 p -103.83 106.57 17.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.02 0.438 . . . . 0.0 110.47 179.554 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.647 ' N ' HD12 ' A' ' 87' ' ' ILE . 3.1 mp -98.58 146.35 8.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.286 -179.508 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.04 168.35 17.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.659 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 42.3 m -104.53 -41.2 5.78 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.996 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.712 ' HB2' ' CE2' ' A' ' 103' ' ' PHE . . . -65.61 -35.41 80.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.172 -179.817 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.42 -14.79 62.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.447 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.475 HD12 ' CB ' ' A' ' 96' ' ' HIS . 5.9 pt -119.63 21.59 5.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.7 -0.227 . . . . 0.0 111.562 -179.78 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . 0.473 ' HA ' ' CE1' ' A' ' 96' ' ' HIS . 1.5 m -60.46 116.69 4.5 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.021 0.439 . . . . 0.0 110.91 179.613 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 118.27 -26.62 7.71 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.218 -179.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 5.3 mm100 -148.12 55.71 1.05 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.964 0.412 . . . . 0.0 110.817 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.475 ' CB ' HD12 ' A' ' 92' ' ' ILE . 2.0 p-80 -123.62 159.2 56.6 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.911 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.44 ' HD2' ' HB2' ' A' ' 96' ' ' HIS . 21.0 Cg_endo -60.94 170.41 4.77 Favored 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.547 2.164 . . . . 0.0 112.044 179.81 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 11.6 ttpt -56.03 -29.2 60.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.194 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -57.2 -36.68 71.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.167 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.436 ' HB2' ' CG ' ' A' ' 96' ' ' HIS . 96.1 m -94.28 21.82 6.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.98 179.818 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.42 ' HA ' ' HB2' ' A' ' 105' ' ' GLU . . . -74.55 -22.08 59.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.481 -179.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 22.8 p90 -72.28 -10.0 59.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.41 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.712 ' CE2' ' HB2' ' A' ' 90' ' ' ALA . 0.3 OUTLIER -98.0 -68.99 0.78 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.76 0.314 . . . . 0.0 110.798 -179.771 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 17.5 m -134.64 92.61 2.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.654 179.621 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.749 ' O ' HD23 ' A' ' 108' ' ' LEU . 1.1 mm-40 -154.56 -171.78 3.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.096 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -35.48 -37.95 0.1 Allowed 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.665 -179.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.04 126.33 37.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.91 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.749 HD23 ' O ' ' A' ' 105' ' ' GLU . 2.8 pp -177.11 -177.99 0.78 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.875 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.233 -0.889 . . . . 0.0 110.902 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.137 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.2 m -83.78 156.64 64.52 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 120.696 0.284 . . . . 0.0 110.906 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.488 ' HG2' ' CZ3' ' A' ' 67' ' ' TRP . 93.9 Cg_endo -80.83 1.69 9.11 Favored 'Trans proline' 0 N--CA 1.462 -0.365 0 C-N-CA 122.76 2.307 . . . . 0.0 112.702 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.488 ' CZ3' ' HG2' ' A' ' 66' ' ' PRO . 4.3 m95 -72.28 175.03 6.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.842 0.353 . . . . 0.0 110.913 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 30.4 t -146.36 153.88 41.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.825 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.8 tp -96.07 20.36 10.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.193 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 19.1 m -93.86 43.15 1.11 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.993 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 25.7 p -161.1 -179.62 7.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.8 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 30.5 mmt-85 -64.76 127.36 31.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.958 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.42 8.55 30.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.356 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -49.4 158.28 0.42 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.839 0.352 . . . . 0.0 111.247 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -75.69 -28.13 58.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.021 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -91.3 47.27 2.86 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.343 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.406 ' HG3' ' CB ' ' A' ' 88' ' ' SER . 0.0 OUTLIER -145.13 131.63 19.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.809 0.337 . . . . 0.0 110.824 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.469 ' CZ ' ' HB ' ' A' ' 87' ' ' ILE . 39.0 p90 -112.87 170.81 7.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.766 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.402 ' CD1' ' CE3' ' A' ' 67' ' ' TRP . 13.6 t80 -117.17 135.09 54.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.106 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.665 ' HB2' HD13 ' A' ' 87' ' ' ILE . 34.9 t0 -113.85 99.69 7.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.549 179.766 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 55.4 t60 -49.94 -53.28 27.22 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.715 -179.568 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.59 -28.29 3.35 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.871 0.367 . . . . 0.0 110.98 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 38.0 mt -98.34 -24.18 15.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.821 179.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 69.52 12.47 8.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.117 -179.753 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -122.75 174.98 6.78 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.514 179.689 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 3.3 m -104.08 98.98 8.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.613 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.665 HD13 ' HB2' ' A' ' 80' ' ' ASP . 3.6 mp -90.63 149.52 4.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.183 -179.746 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.406 ' CB ' ' HG3' ' A' ' 77' ' ' LYS . 0.5 OUTLIER -109.07 168.64 9.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.001 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 76.9 m -93.29 -35.15 13.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.658 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.752 ' HB2' ' CE2' ' A' ' 103' ' ' PHE . . . -70.55 -30.68 67.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.4 m -69.7 -16.98 63.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.132 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.777 HD12 ' HB3' ' A' ' 96' ' ' HIS . 0.5 OUTLIER -108.21 -85.89 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.231 179.821 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . 0.433 ' H ' HG13 ' A' ' 92' ' ' ILE . 1.6 m 57.39 116.75 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.094 0.473 . . . . 0.0 111.654 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 110.62 -38.62 3.22 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.946 179.646 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 65.7 mm-40 -138.63 43.67 2.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.921 0.391 . . . . 0.0 111.0 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.777 ' HB3' HD12 ' A' ' 92' ' ' ILE . 2.0 p-80 -104.96 160.89 24.44 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.0 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -60.01 172.86 2.08 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.49 2.126 . . . . 0.0 111.937 179.632 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.35 -20.59 64.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.169 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.413 ' O ' ' CE2' ' A' ' 102' ' ' TYR . 1.3 pt20 -67.39 -39.17 85.57 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.325 -179.773 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 59.0 m -87.87 13.6 10.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.463 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.45 ' HA ' ' HB2' ' A' ' 105' ' ' GLU . . . -64.94 -16.05 62.86 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.59 0.233 . . . . 0.0 111.616 -179.77 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.413 ' CE2' ' O ' ' A' ' 99' ' ' GLN . 10.5 p90 -80.41 -0.94 39.28 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.741 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.752 ' CE2' ' HB2' ' A' ' 90' ' ' ALA . 0.8 OUTLIER -103.95 -68.29 0.85 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.811 0.339 . . . . 0.0 110.846 -179.897 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 72.2 m -130.29 81.45 2.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.588 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.45 ' HB2' ' HA ' ' A' ' 101' ' ' ALA . 3.0 mt-10 -166.01 -172.24 2.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.948 0.404 . . . . 0.0 111.47 -179.748 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -41.75 -45.18 3.46 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.379 -179.82 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -59.65 -60.48 3.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.965 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.538 HD13 ' N ' ' A' ' 109' ' ' ARG . 0.2 OUTLIER -127.35 136.08 51.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 179.938 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.538 ' N ' HD13 ' A' ' 108' ' ' LEU . 1.6 mpt_? . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.886 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.22 0 N-CA-C 112.43 -0.268 . . . . 0.0 112.43 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.3 m -124.23 127.96 25.17 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 120.569 0.224 . . . . 0.0 110.869 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -60.53 -57.18 0.75 Allowed 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.46 2.107 . . . . 0.0 112.42 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 26.3 m-90 -101.11 -178.43 3.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.99 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -151.7 89.78 1.5 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.762 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.729 HD12 ' N ' ' A' ' 70' ' ' SER . 4.2 pp -105.2 -46.29 4.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.066 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.729 ' N ' HD12 ' A' ' 69' ' ' LEU . 0.3 OUTLIER -172.2 124.35 0.51 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.966 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 5.9 t -163.16 149.7 12.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.56 161.29 20.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.862 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.43 -12.35 59.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.385 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.73 134.88 41.95 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.821 0.343 . . . . 0.0 111.091 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.43 -39.22 92.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.709 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -73.87 74.15 1.18 Allowed Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.408 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.9 mttm -159.6 166.01 31.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.884 0.373 . . . . 0.0 110.893 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.493 ' HE2' HD11 ' A' ' 92' ' ' ILE . 33.6 p90 -163.52 171.12 16.31 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.832 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.409 ' HA ' ' HA ' ' A' ' 86' ' ' CYS . 6.7 t80 -115.29 133.29 56.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.914 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.66 ' CB ' HD13 ' A' ' 87' ' ' ILE . 57.5 t0 -109.27 130.33 55.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.758 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 54.5 p-80 -73.11 -49.78 26.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.601 -179.378 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.71 -21.67 42.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.209 -179.763 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 45.2 mt -104.75 -25.05 12.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.013 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 66.99 15.63 10.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.961 -179.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -124.32 176.85 6.18 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.863 0.363 . . . . 0.0 110.724 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . 0.409 ' HA ' ' HA ' ' A' ' 79' ' ' TYR . 2.7 t -103.92 91.91 4.18 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.377 179.644 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.66 HD13 ' CB ' ' A' ' 80' ' ' ASP . 3.9 mp -81.12 152.48 4.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.211 -179.59 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -99.32 168.24 10.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.084 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 95.9 m -94.31 -38.07 11.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.853 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.693 ' HB2' ' CZ ' ' A' ' 103' ' ' PHE . . . -57.01 -45.43 83.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.434 -179.68 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -63.31 -16.76 61.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.459 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.493 HD11 ' HE2' ' A' ' 78' ' ' PHE . 16.4 pt -121.34 24.48 4.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 N-CA-C 111.746 0.276 . . . . 0.0 111.746 -179.716 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . 0.461 ' HA ' ' CE1' ' A' ' 96' ' ' HIS . 1.6 m -63.37 120.07 10.9 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.94 0.4 . . . . 0.0 111.013 179.758 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 120.04 -41.19 2.01 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.386 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -137.93 62.01 1.58 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.971 0.415 . . . . 0.0 110.671 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.461 ' CE1' ' HA ' ' A' ' 93' ' ' CYS . 1.7 p-80 -126.32 163.09 42.37 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.912 -179.811 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.408 ' HD2' ' HB2' ' A' ' 96' ' ' HIS . 53.4 Cg_exo -52.85 176.89 0.06 OUTLIER 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.579 2.186 . . . . 0.0 112.122 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 9.3 ttpt -70.28 -31.03 68.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.991 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.433 ' O ' ' CE2' ' A' ' 102' ' ' TYR . 0.6 OUTLIER -59.75 -31.9 70.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.062 -179.778 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 20.8 m -90.8 25.94 2.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.024 179.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.517 ' HA ' ' HB2' ' A' ' 105' ' ' GLU . . . -78.74 -30.54 45.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.908 0.385 . . . . 0.0 111.281 -179.768 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.433 ' CE2' ' O ' ' A' ' 99' ' ' GLN . 11.4 p90 -61.09 -18.09 56.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.359 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.693 ' CZ ' ' HB2' ' A' ' 90' ' ' ALA . 0.5 OUTLIER -89.85 -69.71 0.71 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.753 0.311 . . . . 0.0 111.032 -179.516 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 37.6 m -132.65 92.08 3.01 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.618 179.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.553 ' H ' HD23 ' A' ' 108' ' ' LEU . 0.2 OUTLIER -166.47 -172.0 2.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.988 0.423 . . . . 0.0 111.281 -179.785 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -40.35 -53.51 2.57 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.275 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.5 120.74 43.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.553 HD23 ' H ' ' A' ' 105' ' ' GLU . 2.4 pp -149.98 35.28 0.67 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.909 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.243 -0.884 . . . . 0.0 110.855 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.172 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 62.2 m -117.13 82.06 13.57 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 120.73 0.3 . . . . 0.0 110.933 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.461 ' HB2' ' CE3' ' A' ' 67' ' ' TRP . 68.7 Cg_endo -75.31 -47.48 0.19 Allowed 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.481 2.121 . . . . 0.0 112.44 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.461 ' CE3' ' HB2' ' A' ' 66' ' ' PRO . 16.6 m-90 -131.92 -47.61 0.94 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.78 0.324 . . . . 0.0 111.099 179.743 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.4 t -54.65 164.02 0.83 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.192 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.51 -56.28 3.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.97 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -155.58 161.03 40.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.939 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 1.9 m -148.38 -176.38 5.28 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 6.8 mmt180 -59.41 159.43 8.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.011 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.73 -7.64 58.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.511 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.89 123.63 14.92 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.87 0.366 . . . . 0.0 111.063 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -74.77 -9.42 58.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.363 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -88.42 11.98 66.31 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.594 -0.812 . . . . 0.0 112.773 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 10.9 mttt -109.76 146.01 35.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.896 0.379 . . . . 0.0 110.958 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.498 ' CE1' ' HB ' ' A' ' 87' ' ' ILE . 10.3 p90 -123.07 176.85 5.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -116.89 109.66 17.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.738 179.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.66 ' HB2' HD13 ' A' ' 87' ' ' ILE . 31.6 t0 -90.47 113.82 25.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.715 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 15.0 p80 -55.31 -48.78 73.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.704 -179.426 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.3 pp -57.63 -19.87 29.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.734 0.302 . . . . 0.0 111.406 -179.645 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.487 HD12 HG12 ' A' ' 87' ' ' ILE . 46.7 mt -104.72 -23.43 13.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.075 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 3.3 mpp_? 63.46 18.0 10.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 -179.562 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 52.8 m-20 -132.22 -179.33 5.36 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.746 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 13.6 p -103.85 107.19 17.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.988 0.423 . . . . 0.0 110.496 179.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.66 HD13 ' HB2' ' A' ' 80' ' ' ASP . 3.0 mp -101.47 153.49 4.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.355 -179.476 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -93.07 168.67 10.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.592 179.817 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 56.1 m -108.81 -29.59 8.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.073 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.881 ' HB2' ' CE2' ' A' ' 103' ' ' PHE . . . -82.33 -15.39 53.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.638 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 80.5 p -91.53 -21.59 20.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.678 -0.237 . . . . 0.0 111.563 -179.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.467 HD12 ' CB ' ' A' ' 96' ' ' HIS . 5.6 pt -111.09 24.43 3.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 111.649 0.24 . . . . 0.0 111.649 -179.621 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . 0.453 ' HA ' ' CE1' ' A' ' 96' ' ' HIS . 1.6 m -59.73 116.64 4.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.998 0.428 . . . . 0.0 110.868 179.689 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 120.22 -33.07 4.67 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.917 -0.659 . . . . 0.0 112.211 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -143.72 60.16 1.38 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.977 0.418 . . . . 0.0 110.618 179.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.467 ' CB ' HD12 ' A' ' 92' ' ' ILE . 1.8 p-80 -125.62 159.68 59.59 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.013 -179.645 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.445 ' HD2' ' HB2' ' A' ' 96' ' ' HIS . 19.2 Cg_endo -58.61 176.58 0.4 Allowed 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.537 2.158 . . . . 0.0 112.178 179.749 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.52 -24.25 67.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.202 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -63.57 -36.0 82.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.776 0.322 . . . . 0.0 111.162 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 96.0 m -95.06 24.88 4.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.073 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -78.28 -27.34 47.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.798 0.333 . . . . 0.0 111.33 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 25.7 p90 -65.7 -14.94 62.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.386 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.881 ' CE2' ' HB2' ' A' ' 90' ' ' ALA . 0.5 OUTLIER -90.38 -69.92 0.7 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.639 0.257 . . . . 0.0 111.127 -179.692 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 34.9 m -129.86 87.94 2.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.935 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -166.34 -172.96 2.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.861 0.363 . . . . 0.0 111.04 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -51.97 -30.79 26.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.004 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.1 mtmt -67.55 -57.11 7.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.822 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -122.14 103.15 8.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 34.6 mtm-85 . . . . . 0 C--O 1.25 1.079 0 CA-C-O 118.18 -0.914 . . . . 0.0 110.93 179.972 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.229 0 N-CA-C 112.541 -0.224 . . . . 0.0 112.541 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 83.6 p -76.74 121.46 84.85 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 120.588 0.233 . . . . 0.0 110.865 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.437 ' HB2' ' CE3' ' A' ' 67' ' ' TRP . 52.1 Cg_exo -54.71 -62.08 0.33 Allowed 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.467 2.111 . . . . 0.0 112.296 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.437 ' CE3' ' HB2' ' A' ' 66' ' ' PRO . 30.2 m-90 -86.19 168.62 13.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.98 -179.8 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 11.4 t -91.18 -19.05 23.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.168 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 36.8 mt -80.62 0.38 34.37 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.525 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 16.2 t -54.54 154.17 5.04 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.914 0.388 . . . . 0.0 111.018 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -120.13 129.08 54.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.825 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.6 mmt85 -118.13 99.82 7.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.993 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -86.87 -30.02 21.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.854 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -136.76 -172.44 3.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.842 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -93.07 -28.44 16.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.918 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -100.42 62.56 0.63 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.668 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.8 mtpt -131.06 164.98 24.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.742 0.306 . . . . 0.0 110.714 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.494 ' CE1' ' HB ' ' A' ' 87' ' ' ILE . 2.4 p90 -138.24 172.54 12.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.962 0.41 . . . . 0.0 111.03 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -113.6 122.31 46.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.772 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.701 ' HB2' HD13 ' A' ' 87' ' ' ILE . 24.9 t0 -100.81 106.59 18.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.753 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 5.3 p80 -56.25 -46.2 79.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.366 -179.624 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.8 pp -56.22 -22.65 30.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.235 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 58.0 mt -104.27 -24.58 13.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.066 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.1 mtt-85 67.73 14.01 9.38 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.052 -179.704 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -125.64 -178.93 4.42 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.756 0.312 . . . . 0.0 110.724 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 28.9 p -103.69 112.7 25.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.014 0.435 . . . . 0.0 110.618 179.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.701 HD13 ' HB2' ' A' ' 80' ' ' ASP . 2.7 mp -110.32 158.69 10.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.385 -179.418 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.484 ' N ' HG22 ' A' ' 87' ' ' ILE . 0.6 OUTLIER -94.27 162.39 13.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.707 179.839 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . 0.462 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 77.8 m -94.06 -30.7 14.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.811 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.422 ' HB2' ' CZ ' ' A' ' 103' ' ' PHE . . . -58.06 -54.43 47.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.48 -179.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 69.9 m -57.08 -22.39 39.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.596 -179.571 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.444 HD12 ' CB ' ' A' ' 96' ' ' HIS . 25.1 pt -112.01 27.73 2.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 111.699 0.259 . . . . 0.0 111.699 -179.628 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.7 m -63.95 126.19 26.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.82 0.343 . . . . 0.0 110.705 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 101.11 -30.68 9.84 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.481 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -135.95 57.88 1.77 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.861 0.362 . . . . 0.0 110.982 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.444 ' CB ' HD12 ' A' ' 92' ' ' ILE . 27.5 p-80 -123.29 156.75 63.06 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.885 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -64.3 175.31 3.42 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.61 2.206 . . . . 0.0 112.405 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 4.5 ttpt -59.86 -29.85 68.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.026 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.414 ' O ' ' CE2' ' A' ' 102' ' ' TYR . 5.8 tp-100 -54.97 -39.9 69.46 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.959 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 52.0 m -91.6 25.97 2.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.854 179.707 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.541 ' HA ' ' HB2' ' A' ' 105' ' ' GLU . . . -69.5 -14.93 63.13 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.479 -179.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.414 ' CE2' ' O ' ' A' ' 99' ' ' GLN . 35.2 p90 -91.16 -0.63 57.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.873 -179.45 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.462 ' CD2' ' HB2' ' A' ' 89' ' ' CYS . 2.9 t80 -102.73 -72.49 0.69 Allowed 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 111.764 0.283 . . . . 0.0 111.764 -179.099 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 14.2 m -122.63 51.68 1.38 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.85 0.357 . . . . 0.0 111.071 -179.427 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.541 ' HB2' ' HA ' ' A' ' 101' ' ' ALA . 0.6 OUTLIER -140.8 -171.83 3.33 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.021 -179.775 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.559 ' O ' ' HG2' ' A' ' 107' ' ' LYS . 6.8 p30 -60.89 74.52 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.254 -179.78 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.559 ' HG2' ' O ' ' A' ' 106' ' ' ASN . 0.0 OUTLIER -178.56 -52.43 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.676 179.922 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -124.48 128.43 48.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.946 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.201 -0.904 . . . . 0.0 110.907 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.14 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.2 144.73 38.56 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 120.682 0.277 . . . . 0.0 110.909 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -68.04 -42.35 6.22 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.554 2.169 . . . . 0.0 112.27 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 19.4 m-90 -119.65 -178.17 3.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.964 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 30.0 t -149.67 -44.22 0.14 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.022 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -94.15 20.4 8.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.265 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.6 m -88.57 -57.44 2.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.798 0.332 . . . . 0.0 111.106 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 25.0 p -141.96 114.85 8.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.857 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -118.29 95.7 5.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.885 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.4 mtmt -94.14 -56.47 2.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.838 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -149.39 -174.82 4.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -80.16 -3.46 49.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.348 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -119.21 26.44 7.41 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.625 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 5.3 mptt -110.95 133.01 53.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.814 0.34 . . . . 0.0 110.838 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.512 ' HE2' HD11 ' A' ' 92' ' ' ILE . 32.6 p90 -123.23 169.97 10.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.927 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -117.24 124.11 48.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.032 179.688 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.739 ' HB2' HD13 ' A' ' 87' ' ' ILE . 27.5 t0 -97.49 102.14 13.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.715 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 49.6 p-80 -56.29 -47.72 78.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.443 -179.475 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.2 pp -54.46 -23.26 15.4 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.229 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 49.5 mt -102.64 -24.34 13.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.062 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 72.1 10.49 6.04 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.087 -179.6 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -121.91 176.1 5.95 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.687 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 57.1 m -103.83 105.85 16.19 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.481 179.543 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.739 HD13 ' HB2' ' A' ' 80' ' ' ASP . 2.7 mp -99.22 146.79 7.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.223 -179.449 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.21 168.81 10.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.974 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 57.7 m -93.32 -30.49 15.11 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.988 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.424 ' HB2' ' HE2' ' A' ' 103' ' ' PHE . . . -69.16 -37.37 78.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.471 -179.665 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.71 -12.01 61.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.613 -179.661 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.512 HD11 ' HE2' ' A' ' 78' ' ' PHE . 9.5 pt -126.31 26.07 2.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.68 0.276 . . . . 0.0 111.614 -179.702 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.7 m -58.41 116.86 3.9 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.788 0.328 . . . . 0.0 110.865 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 115.71 -47.18 1.06 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.408 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 -124.2 64.07 1.08 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.902 0.382 . . . . 0.0 110.74 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.485 ' CG ' ' HB2' ' A' ' 100' ' ' CYS . 1.9 p-80 -132.41 163.88 47.39 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.192 -179.724 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -58.78 -176.85 0.1 OUTLIER 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.698 2.266 . . . . 0.0 112.439 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.68 -31.55 70.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.045 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.98 -25.44 63.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.06 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.485 ' HB2' ' CG ' ' A' ' 96' ' ' HIS . 92.4 m -106.18 0.67 25.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.356 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.405 ' HA ' ' HG3' ' A' ' 105' ' ' GLU . . . -52.65 -67.2 0.27 Allowed 'General case' 0 C--O 1.231 0.11 0 CA-C-O 120.921 0.391 . . . . 0.0 111.529 -179.675 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.434 ' HA ' ' HB2' ' A' ' 106' ' ' ASN . 27.8 p90 -48.48 -24.31 1.24 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.796 -179.756 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.424 ' HE2' ' HB2' ' A' ' 90' ' ' ALA . 4.0 t80 -58.27 -61.91 2.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.914 -179.242 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 2.1 m -122.02 -39.73 2.58 Favored 'General case' 0 N--CA 1.463 0.18 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 -178.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.405 ' HG3' ' HA ' ' A' ' 101' ' ' ALA . 1.9 pt-20 -105.62 106.52 17.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.136 0.493 . . . . 0.0 111.529 -179.346 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.434 ' HB2' ' HA ' ' A' ' 102' ' ' TYR . 0.8 OUTLIER -179.6 -41.62 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.874 179.782 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.57 26.19 0.84 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.047 179.349 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' A' ' 108' ' ' LEU . 19.8 mt -137.03 22.58 3.04 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.105 -179.686 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.252 -0.88 . . . . 0.0 110.84 180.0 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.222 0 N-CA-C 112.571 -0.212 . . . . 0.0 112.571 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -152.74 164.03 21.62 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 120.671 0.272 . . . . 0.0 110.908 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.451 ' HB2' ' CE3' ' A' ' 67' ' ' TRP . 55.1 Cg_endo -69.62 -48.37 0.76 Allowed 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.526 2.15 . . . . 0.0 112.514 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.451 ' CE3' ' HB2' ' A' ' 66' ' ' PRO . 20.3 m-90 -127.35 64.08 1.34 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.861 179.764 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 29.0 t -99.67 94.07 6.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.92 0.39 . . . . 0.0 111.12 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -95.9 -43.76 7.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.587 179.748 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.93 66.58 0.06 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.715 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 3.1 m -107.49 -176.36 3.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.7 mpt_? -67.59 134.32 51.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.9 mmtp -94.0 3.79 54.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.47 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -60.66 167.9 2.48 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.799 0.333 . . . . 0.0 110.852 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -93.07 -20.74 20.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.213 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -92.58 40.44 2.86 Favored Glycine 0 C--N 1.331 0.277 0 C-N-CA 120.623 -0.798 . . . . 0.0 112.677 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 88' ' ' SER . 12.8 mttt -141.93 155.13 45.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.821 0.343 . . . . 0.0 110.866 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.467 ' CE1' ' HB ' ' A' ' 87' ' ' ILE . 1.4 p90 -140.47 173.58 11.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.008 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -117.25 123.18 45.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.951 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.553 ' HB2' HD13 ' A' ' 87' ' ' ILE . 47.2 t0 -99.39 112.01 24.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.73 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 10.9 p80 -57.79 -53.67 55.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.557 -179.556 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.9 pp -48.94 -27.47 3.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.791 0.329 . . . . 0.0 111.209 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 21.7 mt -96.37 -24.27 16.23 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.838 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 67.52 16.65 9.96 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 -179.713 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -130.89 176.79 7.93 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.556 179.782 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 4.9 m -103.73 117.89 35.43 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.955 0.407 . . . . 0.0 110.406 179.579 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.553 HD13 ' HB2' ' A' ' 80' ' ' ASP . 3.6 mp -113.63 159.93 13.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.366 -179.393 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.486 ' N ' HG22 ' A' ' 87' ' ' ILE . 0.3 OUTLIER -94.54 163.15 13.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.979 -179.914 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . 0.406 ' HA ' ' CG1' ' A' ' 92' ' ' ILE . 64.2 m -93.61 -46.2 7.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.826 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.732 ' HB2' ' CE2' ' A' ' 103' ' ' PHE . . . -56.13 -25.51 46.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.323 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 20.6 t -88.86 5.65 42.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.535 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.674 HD11 ' SG ' ' A' ' 100' ' ' CYS . 13.3 pt -135.88 21.91 0.95 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.151 0 N-CA-C 111.647 0.24 . . . . 0.0 111.647 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.7 m -60.05 116.39 4.13 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.911 0.386 . . . . 0.0 110.625 179.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 116.76 -37.99 3.17 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 121.015 -0.612 . . . . 0.0 112.054 -179.484 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -132.36 62.36 1.65 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.866 0.365 . . . . 0.0 110.618 179.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.466 ' HB2' ' HD2' ' A' ' 97' ' ' PRO . 9.3 p-80 -132.06 159.55 71.63 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.197 -179.635 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.466 ' HD2' ' HB2' ' A' ' 96' ' ' HIS . 56.7 Cg_endo -71.22 169.53 20.45 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.481 2.12 . . . . 0.0 112.146 179.727 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 6.8 ttpt -50.17 -27.33 5.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.461 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.11 -40.75 81.98 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.126 -179.73 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.674 ' SG ' HD11 ' A' ' 92' ' ' ILE . 92.1 m -93.93 25.02 3.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.864 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.65 -16.87 59.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.59 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 23.7 p90 -79.42 -1.39 37.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.516 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.732 ' CE2' ' HB2' ' A' ' 90' ' ' ALA . 0.5 OUTLIER -104.94 -68.81 0.84 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.785 0.326 . . . . 0.0 110.84 -179.692 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 55.6 m -132.26 85.78 2.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.536 179.676 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -150.28 -172.8 4.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.006 0.432 . . . . 0.0 111.171 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -56.56 -49.21 75.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.297 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.684 ' HD2' HD23 ' A' ' 108' ' ' LEU . 0.0 OUTLIER -58.11 -29.92 65.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.158 -179.772 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.684 HD23 ' HD2' ' A' ' 107' ' ' LYS . 0.5 OUTLIER -113.56 -166.19 1.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.831 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 10.6 tpp180 . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.912 -179.927 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.21 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 69.1 m -127.81 128.2 23.89 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 120.533 0.206 . . . . 0.0 110.882 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.471 ' HG2' ' CE3' ' A' ' 67' ' ' TRP . 36.4 Cg_endo -65.23 -42.29 13.92 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.479 2.119 . . . . 0.0 112.312 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.471 ' CE3' ' HG2' ' A' ' 66' ' ' PRO . 16.9 p90 -121.22 135.61 55.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -175.15 -64.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.7 mp -106.03 -6.1 18.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.304 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 20.3 t -57.25 -38.25 73.55 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.726 0.298 . . . . 0.0 111.093 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 1.8 m -145.65 179.0 7.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.068 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.8 mmm180 -97.12 176.58 5.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.955 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.5 mttm -68.88 -8.13 41.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.611 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -44.38 132.24 6.05 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 120.806 0.336 . . . . 0.0 111.361 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -76.53 -27.1 55.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.111 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -54.19 -38.81 62.35 Favored Glycine 0 C--N 1.33 0.218 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.659 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 12.3 mttm -100.27 174.28 6.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.741 0.305 . . . . 0.0 110.787 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.497 ' CZ ' ' HB ' ' A' ' 87' ' ' ILE . 34.7 p90 -159.16 168.18 27.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.945 0.402 . . . . 0.0 111.201 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.438 ' CD2' ' HB3' ' A' ' 67' ' ' TRP . 3.7 t80 -117.59 129.73 55.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.699 179.729 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.601 ' HB2' HD13 ' A' ' 87' ' ' ILE . 39.6 t0 -108.09 114.67 28.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.717 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 6.2 p80 -58.65 -48.36 81.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.409 -179.5 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.408 HD12 HD23 ' A' ' 83' ' ' LEU . 2.4 pp -55.79 -23.45 30.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.775 0.321 . . . . 0.0 111.134 -179.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.483 HD12 HG12 ' A' ' 87' ' ' ILE . 33.4 mt -99.96 -24.01 14.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.026 179.794 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 66.85 15.4 10.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.08 -179.654 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -131.74 178.25 6.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.579 179.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 47.8 t -103.59 103.87 13.86 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.979 0.418 . . . . 0.0 110.276 179.66 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.627 HD12 ' N ' ' A' ' 87' ' ' ILE . 3.4 mp -93.33 126.69 45.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.421 -179.345 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.401 ' O ' HG12 ' A' ' 92' ' ' ILE . 0.5 OUTLIER -85.43 168.47 14.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.772 179.844 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 68.9 m -94.71 -40.91 9.54 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.947 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.946 ' HB2' ' CZ ' ' A' ' 103' ' ' PHE . . . -68.32 -32.52 72.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.508 -179.604 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 67.0 m -80.15 -5.56 56.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.742 -179.619 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.552 HD11 ' SG ' ' A' ' 100' ' ' CYS . 45.5 pt -120.62 28.22 3.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 111.68 0.252 . . . . 0.0 111.68 -179.675 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 2.9 m -51.53 154.36 1.91 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.822 0.344 . . . . 0.0 110.43 179.666 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 76.13 -57.18 3.2 Favored Glycine 0 CA--C 1.519 0.328 0 C-N-CA 120.734 -0.746 . . . . 0.0 113.225 179.588 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -113.23 78.12 1.11 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.88 0.371 . . . . 0.0 111.219 -179.477 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.496 ' CE1' ' HB2' ' A' ' 104' ' ' CYS . 9.2 p-80 -132.64 159.7 71.39 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.042 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -72.28 -177.44 2.69 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.386 2.057 . . . . 0.0 111.984 179.549 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 19.8 ttpt -66.17 -26.73 67.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.054 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.442 ' O ' ' CE2' ' A' ' 102' ' ' TYR . 0.8 OUTLIER -59.9 -54.03 50.88 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.06 -179.784 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.552 ' SG ' HD11 ' A' ' 92' ' ' ILE . 89.0 m -77.75 4.08 12.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.597 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.503 ' HA ' ' HB2' ' A' ' 105' ' ' GLU . . . -50.78 -23.71 2.93 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.871 0.367 . . . . 0.0 111.584 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.442 ' CE2' ' O ' ' A' ' 99' ' ' GLN . 10.1 p90 -82.28 -0.53 45.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.861 -179.59 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.946 ' CZ ' ' HB2' ' A' ' 90' ' ' ALA . 1.5 t80 -101.47 -72.62 0.68 Allowed 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -179.179 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . 0.496 ' HB2' ' CE1' ' A' ' 96' ' ' HIS . 1.0 OUTLIER -115.79 43.73 2.05 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.559 0.219 . . . . 0.0 111.146 -179.061 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.737 ' O ' HD23 ' A' ' 108' ' ' LEU . 2.9 tt0 -128.5 -171.84 2.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.046 0.451 . . . . 0.0 111.774 -179.465 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -35.47 -58.23 0.59 Allowed 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 115.383 -0.826 . . . . 0.0 112.164 -179.539 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.421 ' HE2' ' HB2' ' A' ' 102' ' ' TYR . 0.0 OUTLIER -82.76 131.15 35.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.878 0.37 . . . . 0.0 110.882 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.737 HD23 ' O ' ' A' ' 105' ' ' GLU . 3.7 pp -173.15 -178.18 1.71 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.906 -179.769 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.23 -0.891 . . . . 0.0 110.925 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.249 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 17.4 t -122.29 96.27 46.37 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 120.614 0.245 . . . . 0.0 110.889 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.522 ' HG2' ' CZ3' ' A' ' 67' ' ' TRP . 72.1 Cg_endo -77.0 -3.15 13.44 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.476 2.118 . . . . 0.0 112.648 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.522 ' CZ3' ' HG2' ' A' ' 66' ' ' PRO . 3.5 m95 -70.22 117.92 12.38 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.667 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 16.9 p -173.11 -66.05 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.898 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -94.84 20.37 8.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.1 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 66.9 m -55.34 168.36 0.37 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.88 0.372 . . . . 0.0 111.11 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 1.1 p -119.23 118.43 31.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.78 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 4.7 ptp180 -109.45 97.04 6.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.013 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.7 mttm -66.69 -31.41 72.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.795 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -158.88 -179.04 7.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.881 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -76.64 -26.8 55.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.027 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -100.31 63.74 0.61 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.689 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -142.38 173.71 11.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.654 0.264 . . . . 0.0 110.796 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.534 ' CZ ' ' HB ' ' A' ' 87' ' ' ILE . 26.1 p90 -141.24 165.27 27.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.939 0.4 . . . . 0.0 111.188 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -117.5 115.45 25.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.65 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.76 ' HB2' HD13 ' A' ' 87' ' ' ILE . 35.4 t0 -84.04 118.6 24.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.974 0.416 . . . . 0.0 110.635 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 9.1 p80 -63.22 -50.19 71.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.76 -179.294 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.76 -18.81 46.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.812 -179.278 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.467 ' HB2' ' HB3' ' A' ' 80' ' ' ASP . 53.1 mt -101.99 -24.24 14.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.609 0.242 . . . . 0.0 111.38 -179.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 65.14 16.89 10.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.743 -179.345 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -126.17 -178.85 4.46 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.583 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 2.6 p -106.04 111.85 24.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.959 0.409 . . . . 0.0 110.73 179.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.76 HD13 ' HB2' ' A' ' 80' ' ' ASP . 3.0 mp -112.46 146.88 16.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.151 -179.769 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.2 m -100.19 165.61 11.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.853 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 97.6 m -93.98 -46.78 7.0 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.521 ' HB2' ' CZ ' ' A' ' 103' ' ' PHE . . . -52.7 -32.58 43.41 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.403 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 70.4 m -78.68 -4.24 48.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.406 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 10.9 pt -135.95 21.41 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.748 -0.206 . . . . 0.0 111.552 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . 0.477 ' HA ' ' CE1' ' A' ' 96' ' ' HIS . 1.5 m -61.49 117.07 5.24 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.926 0.393 . . . . 0.0 111.142 179.821 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 120.0 -34.97 3.97 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.302 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -140.6 58.69 1.56 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.064 0.459 . . . . 0.0 110.594 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.477 ' CE1' ' HA ' ' A' ' 93' ' ' CYS . 1.9 p-80 -126.92 164.07 37.43 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.006 -179.664 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -58.79 168.12 4.63 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.484 2.123 . . . . 0.0 112.091 179.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.69 -28.03 65.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.113 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.408 ' OE1' ' CD1' ' A' ' 78' ' ' PHE . 1.2 pt20 -59.28 -30.88 68.63 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.158 -179.778 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.408 ' SG ' ' CE2' ' A' ' 78' ' ' PHE . 21.8 m -93.35 25.91 3.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.984 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.492 ' HA ' ' HB2' ' A' ' 105' ' ' GLU . . . -76.38 -32.55 58.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.543 -179.657 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 40.1 p90 -63.66 -15.71 59.04 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.447 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.521 ' CZ ' ' HB2' ' A' ' 90' ' ' ALA . 0.3 OUTLIER -94.75 -61.14 1.55 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.72 0.295 . . . . 0.0 110.958 -179.67 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 18.8 m -144.46 95.39 2.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.983 179.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.492 ' HB2' ' HA ' ' A' ' 101' ' ' ALA . 0.0 OUTLIER -150.36 -172.16 4.1 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.028 0.442 . . . . 0.0 111.546 179.901 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -38.81 -66.92 0.24 Allowed 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.535 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.1 pttm -94.97 53.84 1.62 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.939 0.4 . . . . 0.0 110.961 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -173.13 111.73 0.21 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.983 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.281 -0.866 . . . . 0.0 110.923 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.174 0 N-CA-C 112.531 -0.228 . . . . 0.0 112.531 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -158.65 87.42 2.29 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 120.749 0.309 . . . . 0.0 110.848 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.489 ' HB2' ' CE3' ' A' ' 67' ' ' TRP . 32.4 Cg_exo -57.5 -64.42 0.12 Allowed 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.624 2.216 . . . . 0.0 112.346 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.489 ' CE3' ' HB2' ' A' ' 66' ' ' PRO . 9.9 m-90 -101.37 -51.59 3.45 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.989 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.6 t -56.25 138.13 50.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.085 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.5 mt -102.69 -40.82 6.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.944 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.2 t -148.59 168.48 22.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.993 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 4.4 t -142.71 165.39 27.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.409 ' NH1' ' HB3' ' A' ' 72' ' ' ARG . 0.5 OUTLIER -57.92 173.71 0.3 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.916 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.2 -16.34 63.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.346 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -52.16 112.18 0.75 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.846 0.355 . . . . 0.0 111.034 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -70.64 -45.09 65.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -72.83 75.63 0.88 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.473 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 19.3 mttt -145.24 152.14 39.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.895 0.378 . . . . 0.0 110.901 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.473 ' CE1' ' HB ' ' A' ' 87' ' ' ILE . 4.0 p90 -127.54 -177.33 4.05 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.807 179.753 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -116.97 118.23 31.86 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.942 0.401 . . . . 0.0 111.096 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.806 ' HB2' HD13 ' A' ' 87' ' ' ILE . 7.4 t0 -102.36 98.04 8.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.391 179.65 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.589 ' CD2' HD23 ' A' ' 82' ' ' LEU . 5.9 p80 -46.95 -48.04 21.61 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.673 -179.367 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.589 HD23 ' CD2' ' A' ' 81' ' ' HIS . 0.2 OUTLIER -52.36 -25.24 9.24 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.875 0.369 . . . . 0.0 110.879 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.433 HD12 HG12 ' A' ' 87' ' ' ILE . 33.6 mt -104.43 -21.43 13.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.803 179.724 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.43 ' CG ' ' O ' ' A' ' 83' ' ' LEU . 0.1 OUTLIER 64.06 16.1 9.72 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.4 -179.622 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -126.9 -179.19 4.71 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.588 179.772 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 15.6 p -103.97 101.99 11.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.656 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.806 HD13 ' HB2' ' A' ' 80' ' ' ASP . 3.0 mp -95.87 159.17 2.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.118 -179.71 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.482 ' N ' HG22 ' A' ' 87' ' ' ILE . 0.2 OUTLIER -82.32 165.84 20.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.129 -179.908 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 90.4 m -102.49 -37.78 7.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.764 ' HB2' ' CZ ' ' A' ' 103' ' ' PHE . . . -54.43 -42.58 70.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.312 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 34.2 p -65.3 -15.78 62.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.414 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.492 HD11 ' SG ' ' A' ' 100' ' ' CYS . 14.3 pt -118.78 24.7 4.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.584 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.6 m -61.79 121.21 12.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.937 0.398 . . . . 0.0 110.833 179.714 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 108.13 -36.08 4.59 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.924 -0.655 . . . . 0.0 112.231 -179.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -131.9 59.26 1.71 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.845 0.355 . . . . 0.0 110.67 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.469 ' CD2' ' CB ' ' A' ' 100' ' ' CYS . 32.2 p-80 -129.52 157.07 77.53 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.944 -179.757 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.412 ' HD2' ' HB2' ' A' ' 96' ' ' HIS . 22.3 Cg_endo -61.31 -176.88 0.18 Allowed 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.607 2.204 . . . . 0.0 112.232 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.57 -38.5 87.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.083 -179.812 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.39 -36.27 42.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.123 -179.79 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.492 ' SG ' HD11 ' A' ' 92' ' ' ILE . 24.9 m -91.94 13.62 18.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.005 179.692 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -69.21 -16.1 63.54 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.748 0.309 . . . . 0.0 111.657 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 18.6 p90 -79.89 -0.75 36.21 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.637 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.764 ' CZ ' ' HB2' ' A' ' 90' ' ' ALA . 1.1 t80 -104.02 -68.57 0.84 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.752 0.311 . . . . 0.0 111.119 -179.792 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 86.6 m -127.61 75.07 1.57 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.932 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -155.53 -172.79 4.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.955 0.407 . . . . 0.0 111.12 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -49.33 -30.37 7.43 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.457 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 3.4 mmmt -60.57 -79.21 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.081 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -85.09 165.48 17.45 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.93 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.27 -0.871 . . . . 0.0 110.829 179.972 . . . . . . . . 1 1 . 1 stop_ save_