data_2ee7_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 2ee7 _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 ' 19' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.836 0.351 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.457 ' CD2' ' HG2' ' A' ' 108' ' ' GLU . 7.0 tp -77.33 -29.39 53.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 8.5 m-30 -72.82 -33.96 66.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.2 mt -78.78 -43.51 25.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.959 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.559 ' CZ3' HG22 ' A' ' 24' ' ' VAL . 11.0 t90 -46.21 -47.88 17.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.559 HG22 ' CZ3' ' A' ' 23' ' ' TRP . 63.4 t -56.52 -59.77 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.127 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -47.53 -46.25 27.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.873 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -47.29 -49.23 24.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.852 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 60.5 mt . . . . . 0 C--N 1.328 -0.334 0 CA-C-O 121.578 0.704 . . . . 0.0 111.14 179.919 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.6 t0 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.841 0.353 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.535 ' CE1' HD12 ' A' ' 45' ' ' LEU . 5.8 m-85 -39.8 -43.54 1.45 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.1 t -41.6 -43.67 2.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.928 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.496 ' CG ' ' N ' ' A' ' 43' ' ' GLY . 0.4 OUTLIER -49.03 -52.22 26.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.845 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.496 ' N ' ' CG ' ' A' ' 42' ' ' ASP . . . 114.22 -47.74 1.01 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.462 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.4 ' N ' ' OD2' ' A' ' 42' ' ' ASP . 61.8 t -56.06 -20.34 9.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.821 0.344 . . . . 0.0 111.103 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.535 HD12 ' CE1' ' A' ' 40' ' ' PHE . 0.7 OUTLIER -74.05 -32.7 63.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 37.6 t -65.57 -41.88 91.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.104 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.18 -27.74 68.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.133 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -69.97 -48.91 56.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.864 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 51.2 t -49.1 -41.87 14.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.123 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.403 ' O ' ' C ' ' A' ' 51' ' ' LYS . 28.8 mt -66.21 -45.23 90.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.13 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 50' ' ' ILE . 19.1 tptp -37.95 -40.82 0.5 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.938 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -58.47 -52.58 65.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 -73.97 -55.78 5.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.954 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -127.2 93.15 42.1 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.64 0.733 . . . . 0.0 110.903 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -36.54 10.5 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.726 2.284 . . . . 0.0 112.35 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.9 ptmm? -60.99 -49.74 76.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 19.4 mmm -48.52 -52.51 22.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 41.5 t -67.16 147.31 12.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.129 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -118.91 -41.5 2.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 22.2 mmt 48.5 46.51 20.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.909 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 25.6 t-80 -126.66 -30.02 2.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 28.6 m-80 -94.72 -50.61 5.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -58.51 139.78 55.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 89.1 t -134.53 131.16 20.23 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.641 0.734 . . . . 0.0 111.139 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 122.01 8.7 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.686 2.257 . . . . 0.0 112.36 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -133.72 178.07 7.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.089 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 26.0 p30 -126.38 38.88 4.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.8 t -139.2 129.99 26.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 31.6 tp -45.57 -48.97 14.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.932 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -41.43 -58.05 2.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.945 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 17.1 mm100 -66.4 -44.65 82.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 20.1 mmtp -44.6 -64.2 0.74 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 15.4 mt -56.43 -47.33 79.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.915 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.9 t -51.52 -35.42 40.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -74.22 -49.39 23.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.889 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.451 ' CZ2' HG22 ' A' ' 99' ' ' ILE . 38.7 m95 -56.81 -48.59 77.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.936 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -43.85 -50.81 7.22 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.516 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -64.94 -49.26 71.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.812 0.339 . . . . 0.0 110.845 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.7 tp -53.92 -15.82 1.55 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 36.6 t-20 -84.3 -28.7 26.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 38.1 mtm180 -110.72 4.3 19.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.885 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 41.9 mmtt -118.32 -34.54 4.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 72.2 t -111.06 -67.45 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.151 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 87' ' ' LEU . 85.4 mt -44.06 -57.13 3.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.957 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 84' ' ' LEU . 52.5 tttt -37.65 -58.07 0.92 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.906 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -50.84 -36.52 37.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 84' ' ' LEU . 8.8 mt -90.29 29.02 1.31 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.898 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 47.3 t30 40.82 25.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.9 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.44 ' N ' ' O ' ' A' ' 87' ' ' LEU . 14.9 t80 -98.78 132.91 43.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 46.1 m -129.84 147.87 51.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.881 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.415 ' CG1' ' HD2' ' A' ' 92' ' ' PRO . 94.0 t -152.12 137.54 11.09 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.618 0.723 . . . . 0.0 111.141 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.459 ' HG2' ' CG2' ' A' ' 95' ' ' VAL . 54.3 Cg_endo -69.73 161.3 46.44 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.739 2.293 . . . . 0.0 112.326 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -65.61 -43.45 89.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -48.14 -41.87 27.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.459 ' CG2' ' HG2' ' A' ' 92' ' ' PRO . 69.6 t -69.37 -41.85 80.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.144 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 11.9 mtm -60.08 -52.13 66.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.882 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 65.1 mtt-85 -41.2 -45.71 2.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.842 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 45.6 mttt -65.78 -44.98 84.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.922 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.451 HG22 ' CZ2' ' A' ' 76' ' ' TRP . 82.7 mt -52.52 -59.18 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.134 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -55.6 -26.4 43.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.109 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 35.1 mm-40 -85.24 25.05 1.04 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 42.6 t 42.3 53.49 4.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -86.46 128.29 57.6 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.612 0.72 . . . . 0.0 111.103 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 128.12 15.58 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.71 2.273 . . . . 0.0 112.351 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 90.45 -38.43 3.22 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.504 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 58.1 t -58.01 -68.3 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.88 0.371 . . . . 0.0 111.155 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 2.1 p -57.75 -31.67 40.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.11 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.457 ' HG2' ' CD2' ' A' ' 20' ' ' LEU . 1.6 tm-20 -64.62 -37.61 88.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 38.1 mt -58.53 -13.94 6.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 53.6 t -104.85 -24.18 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.123 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 81.7 mt -69.73 -41.32 75.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.948 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.519 ' N ' ' HD2' ' A' ' 113' ' ' PRO . 3.8 mt -55.62 -57.85 18.84 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.637 0.732 . . . . 0.0 111.157 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.519 ' HD2' ' N ' ' A' ' 112' ' ' ILE . 53.8 Cg_endo -69.71 -32.24 19.17 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.713 2.275 . . . . 0.0 112.353 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 13.2 tp -51.87 -50.4 61.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.977 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . 0.494 ' NE ' ' OE2' ' A' ' 119' ' ' GLU . 0.0 OUTLIER -63.66 -44.76 92.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.91 179.895 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -55.13 -35.47 64.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.9 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 120' ' ' GLU . 47.5 mmt-85 -69.76 -57.86 4.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 22.0 mt -37.6 -53.64 1.2 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.93 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.494 ' OE2' ' NE ' ' A' ' 115' ' ' ARG . 45.7 mt-10 -54.87 -39.91 69.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 117' ' ' ARG . 14.3 tt0 -51.88 -33.13 35.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.891 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 9.3 mmp_? -77.81 -36.27 50.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.886 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 11.6 tm0? . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 -179.961 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.842 0.353 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 12.2 tp -71.73 -37.41 70.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.476 ' CE1' ' OE1' ' A' ' 108' ' ' GLU . 16.0 m-85 -63.81 -47.73 79.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 39.1 mt -52.06 -45.75 64.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.858 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 18.2 t90 -49.56 -31.58 10.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 97.6 t -67.91 -52.51 38.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.174 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -42.86 -51.12 5.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 20.0 t30 -46.48 -38.35 9.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 91.8 mt . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 121.614 0.721 . . . . 0.0 111.125 179.941 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.6 t0 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.832 0.348 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.49 ' O ' ' N ' ' A' ' 42' ' ' ASP . 7.7 m-85 -51.62 -33.08 31.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 40' ' ' PHE . 31.1 t -36.21 -30.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.887 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.49 ' N ' ' O ' ' A' ' 40' ' ' PHE . 3.9 p30 -101.76 146.76 27.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.845 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 44' ' ' VAL . . . -69.37 -33.55 73.03 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.469 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.421 ' C ' ' O ' ' A' ' 43' ' ' GLY . 77.4 t -36.36 -57.06 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.878 0.37 . . . . 0.0 111.106 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 27.7 tp -63.89 -50.2 69.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 93.1 t -44.48 -47.83 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.145 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -48.62 -41.64 31.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.07 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -54.35 -43.88 71.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 99.5 t -49.53 -51.73 14.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.118 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.439 ' O ' ' C ' ' A' ' 51' ' ' LYS . 12.5 mt -58.05 -47.29 87.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.128 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.449 ' CD ' ' HB3' ' A' ' 55' ' ' PRO . 0.3 OUTLIER -35.34 -64.43 0.28 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 179.842 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.434 ' C ' ' O ' ' A' ' 51' ' ' LYS . 11.5 t80 -35.7 -60.44 0.52 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 -63.71 -59.58 4.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.936 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 55.6 m-85 -130.06 96.8 24.55 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.651 0.739 . . . . 0.0 110.893 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.449 ' HB3' ' CD ' ' A' ' 51' ' ' LYS . 53.8 Cg_endo -69.84 -18.61 36.53 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.679 2.253 . . . . 0.0 112.315 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 15.3 ptpt -77.21 -33.07 56.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.919 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 80.4 mtp -65.17 -46.9 78.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.871 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.451 HG13 ' N ' ' A' ' 59' ' ' GLU . 92.4 t -63.53 136.89 25.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.084 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.451 ' N ' HG13 ' A' ' 58' ' ' VAL . 13.4 tp10 -100.98 -51.81 3.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 8.3 mmt 42.91 43.64 3.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.857 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 69.5 t60 -122.99 -18.24 6.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.817 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 14.0 p30 -124.37 -28.59 3.63 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 58.7 m-85 -68.43 120.78 15.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.917 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.408 ' CG1' ' HD2' ' A' ' 65' ' ' PRO . 83.9 t -125.76 136.97 29.11 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.631 0.729 . . . . 0.0 111.152 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.408 ' HD2' ' CG1' ' A' ' 64' ' ' VAL . 53.8 Cg_endo -69.78 125.04 11.68 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.676 2.25 . . . . 0.0 112.368 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -130.33 171.66 12.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.123 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 25.6 p-10 -114.92 25.77 10.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.879 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 70.4 m -123.08 131.67 53.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.82 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 25.7 tp -51.11 -48.15 61.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.909 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -50.01 -47.9 52.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 18.0 tp60 -64.23 -47.11 80.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 15.6 mmtp -46.02 -65.28 0.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 90.6 mt -54.26 -46.22 72.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.2 t -44.21 -44.05 7.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -72.33 -34.65 68.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 42.7 m95 -65.67 -59.77 3.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.956 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -44.51 -43.69 7.85 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.474 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 4.2 t-160 -67.79 -45.93 73.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.805 0.336 . . . . 0.0 110.86 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 5.2 tp -58.07 -18.12 22.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.933 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.453 ' HA ' ' CD1' ' A' ' 84' ' ' LEU . 57.7 t-20 -75.18 -36.78 61.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.822 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 15.7 mtp180 -105.65 3.45 29.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.845 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.459 ' O ' ' CZ ' ' A' ' 86' ' ' ARG . 23.9 mmtt -111.76 -22.87 10.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 46.7 t -130.92 -68.79 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.118 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.499 ' O ' ' N ' ' A' ' 87' ' ' LEU . 77.1 mt -40.93 -49.84 3.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.92 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 84' ' ' LEU . 33.3 ttpt -35.31 -57.32 0.6 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.929 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.459 ' CZ ' ' O ' ' A' ' 82' ' ' LYS . 0.3 OUTLIER -52.71 -39.11 61.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.838 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.499 ' N ' ' O ' ' A' ' 84' ' ' LEU . 10.6 mt -86.71 28.93 0.83 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . 0.426 ' C ' ' O ' ' A' ' 87' ' ' LEU . 8.0 m-20 36.09 36.73 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -111.57 121.94 46.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 53.3 m -122.54 126.56 48.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.473 ' CG1' ' HD2' ' A' ' 92' ' ' PRO . 86.3 t -119.55 138.71 26.9 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.613 0.721 . . . . 0.0 111.113 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.473 ' HD2' ' CG1' ' A' ' 91' ' ' VAL . 53.6 Cg_endo -69.74 -175.01 1.01 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.732 2.288 . . . . 0.0 112.331 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -90.65 -46.8 8.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.87 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -51.56 -20.32 1.88 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.87 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.469 ' CG2' ' HG2' ' A' ' 92' ' ' PRO . 37.6 t -87.89 -38.0 11.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 7.6 mtt -68.91 -43.84 74.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 24.3 mtm180 -52.5 -31.72 36.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.87 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 3.7 mtpm? -80.87 -42.67 21.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 96.6 mt -53.79 -50.41 52.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.144 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -69.97 -19.15 63.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.123 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 102' ' ' CYS . 9.4 mm-40 -92.24 28.29 1.96 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.922 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . 0.407 ' C ' ' O ' ' A' ' 101' ' ' GLN . 20.0 p 36.99 52.82 1.1 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.455 ' HB3' ' CG2' ' A' ' 106' ' ' VAL . . . -75.73 163.37 67.59 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.574 0.702 . . . . 0.0 111.073 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . 0.444 ' O ' ' C ' ' A' ' 105' ' ' GLY . 53.6 Cg_endo -69.77 119.65 6.56 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.7 2.266 . . . . 0.0 112.311 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 104' ' ' PRO . . . 35.1 85.6 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.496 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.455 ' CG2' ' HB3' ' A' ' 103' ' ' ALA . 57.6 t -134.41 -58.48 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.876 0.369 . . . . 0.0 111.162 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 6.3 p -61.55 -33.98 59.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.121 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.476 ' OE1' ' CE1' ' A' ' 21' ' ' TYR . 10.6 mm-40 -57.15 -30.74 64.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 35.2 mt -65.17 -25.1 67.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 45.0 t -93.64 -15.97 7.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.107 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 45.0 mt -82.68 -28.49 30.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.948 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.52 ' N ' ' HD2' ' A' ' 113' ' ' PRO . 3.8 mt -58.07 -57.87 22.81 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.612 0.72 . . . . 0.0 111.109 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.52 ' HD2' ' N ' ' A' ' 112' ' ' ILE . 53.9 Cg_endo -69.74 -35.16 13.2 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.659 2.239 . . . . 0.0 112.359 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 6.3 tp -45.89 -38.35 7.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 44.0 ttp180 -73.96 -42.11 60.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -61.39 -34.58 75.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.934 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 29.5 mmt-85 -71.96 -46.21 58.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 17.0 mt -64.22 -49.97 69.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -49.13 -33.88 12.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -52.25 -51.07 60.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 48.6 mtt85 -72.81 -31.87 65.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.834 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.904 -179.921 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 33.9 mm-40 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.855 0.359 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.0 tp -82.95 -33.88 26.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -67.09 -37.53 84.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.938 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 21.6 mt -62.13 -57.05 13.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.92 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.501 ' CD2' ' HD2' ' A' ' 115' ' ' ARG . 6.5 t90 -39.59 -42.19 1.14 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 69.4 t -65.64 -53.63 36.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.124 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -49.75 -43.96 48.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -51.8 -54.86 24.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 79.7 mt . . . . . 0 C--N 1.329 -0.315 0 CA-C-O 121.612 0.72 . . . . 0.0 111.156 179.913 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.6 t0 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.834 0.349 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.435 ' O ' ' C ' ' A' ' 41' ' ' SER . 2.9 m-85 -45.58 -48.09 14.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 40' ' ' PHE . 2.4 m -35.54 -34.71 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.895 -179.8 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 40' ' ' PHE . 4.7 t70 -46.34 -52.81 12.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.848 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 113.08 -48.97 0.88 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.507 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 47.2 t -58.47 -37.02 61.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.845 0.355 . . . . 0.0 111.089 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 14.3 tp -69.19 -41.77 76.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 91.4 t -49.03 -36.04 7.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.134 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.35 -48.5 75.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.104 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -45.6 -51.21 12.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 81.2 t -49.1 -42.16 14.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.112 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 37.9 mt -66.86 -35.27 74.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.14 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 30.4 tptt -45.13 -51.86 9.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.891 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 43.8 t80 -43.28 -50.94 6.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -73.38 -58.05 3.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.935 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -132.69 120.6 16.71 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.638 0.732 . . . . 0.0 110.876 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -44.98 1.77 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.691 2.261 . . . . 0.0 112.365 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 37.4 mtpt -59.85 -52.4 65.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 64.6 mmm -38.54 -33.21 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.863 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 67.3 t -86.93 129.95 37.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.088 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.513 ' O ' ' CD2' ' A' ' 63' ' ' TYR . 27.3 mt-10 -129.92 71.67 1.46 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 23.6 mmt -65.8 -39.56 91.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 24.1 t-80 -38.65 -35.22 0.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.839 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -90.46 -52.63 4.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.513 ' CD2' ' O ' ' A' ' 59' ' ' GLU . 41.2 m-85 -64.49 129.5 40.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 97.6 t -123.0 132.09 24.31 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.624 0.726 . . . . 0.0 111.084 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 116.33 4.5 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.682 2.255 . . . . 0.0 112.376 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -114.26 168.47 9.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.097 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -94.58 -67.7 0.84 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 21.5 t -50.25 169.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.85 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.449 ' HA ' ' CG ' ' A' ' 72' ' ' LYS . 0.8 OUTLIER -89.12 -37.68 14.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.41 ' N ' ' HG ' ' A' ' 69' ' ' LEU . 1.5 pp0? -42.7 -42.27 3.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 43.2 tp60 -71.08 -41.49 70.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.449 ' CG ' ' HA ' ' A' ' 69' ' ' LEU . 47.1 mmtt -39.31 -66.73 0.26 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 18.5 mt -43.1 -45.05 5.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.6 t -49.37 -53.45 22.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 43.8 m-20 -59.81 -60.13 4.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.883 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.483 ' CZ2' HG21 ' A' ' 99' ' ' ILE . 34.4 m95 -42.29 -50.44 4.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -44.51 -45.42 8.48 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.44 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 49.0 m170 -68.88 -48.02 64.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.833 0.349 . . . . 0.0 110.873 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.0 tp -58.24 -13.54 5.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 36.5 t-20 -86.13 -30.07 22.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.921 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 64.6 mtp180 -109.5 0.67 19.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.1 mmpt? -113.78 -37.04 4.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.865 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 97.2 t -107.76 -70.02 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.089 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.405 ' O ' ' N ' ' A' ' 87' ' ' LEU . 73.4 mt -40.49 -61.7 0.88 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.862 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 84' ' ' LEU . 24.0 ttpp -37.01 -51.64 0.94 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -53.5 -44.73 69.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.405 ' N ' ' O ' ' A' ' 84' ' ' LEU . 10.0 mt -87.17 31.85 0.71 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 40.09 36.93 0.34 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -109.77 143.33 39.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 57.7 m -133.32 163.77 28.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 10.8 t -159.53 129.73 3.5 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.59 0.709 . . . . 0.0 111.163 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.454 ' HG2' ' CG2' ' A' ' 95' ' ' VAL . 53.7 Cg_endo -69.78 155.27 66.28 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.658 2.239 . . . . 0.0 112.37 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -61.52 -34.95 76.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.864 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -56.04 -45.63 79.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.454 ' CG2' ' HG2' ' A' ' 92' ' ' PRO . 87.7 t -71.19 -36.83 63.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.115 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 4.5 mtt -58.31 -50.16 74.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 20.7 mtp85 -47.81 -54.19 13.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 14.5 mttm -53.99 -59.99 3.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.915 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.483 HG21 ' CZ2' ' A' ' 76' ' ' TRP . 71.8 mt -45.25 -49.58 3.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.116 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -60.11 -27.02 66.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.111 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 19.5 mm-40 -84.45 12.8 6.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.942 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 99.8 m 56.43 46.58 20.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -81.08 136.75 49.97 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.608 0.718 . . . . 0.0 111.078 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 131.43 21.3 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.747 2.298 . . . . 0.0 112.37 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.453 ' O ' ' C ' ' A' ' 106' ' ' VAL . . . 84.55 -58.64 4.98 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.505 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.453 ' C ' ' O ' ' A' ' 105' ' ' GLY . 39.3 t -33.81 -53.63 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.875 0.369 . . . . 0.0 111.131 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 8.8 p -67.84 -46.66 81.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.122 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 42.0 mp0 -53.93 -33.8 57.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 38.6 mt -59.85 -21.3 60.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.948 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 2.6 t -102.21 -16.59 7.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.156 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 72.8 mt -74.49 -43.29 56.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.921 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.512 ' N ' ' HD2' ' A' ' 113' ' ' PRO . 3.3 mt -52.24 -58.45 11.49 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.582 0.706 . . . . 0.0 111.136 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.512 ' HD2' ' N ' ' A' ' 112' ' ' ILE . 53.6 Cg_endo -69.76 -18.05 37.23 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.631 2.221 . . . . 0.0 112.346 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 13.5 tp -69.13 -45.54 69.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . 0.501 ' HD2' ' CD2' ' A' ' 23' ' ' TRP . 37.8 ttt-85 -79.85 -44.8 19.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . 0.402 ' CG ' ' N ' ' A' ' 117' ' ' ARG . 5.4 pt20 -47.0 -42.39 17.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.402 ' N ' ' CG ' ' A' ' 116' ' ' GLN . 15.7 mmm180 -69.07 -54.83 13.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 84.4 mt -41.16 -54.53 2.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.866 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -44.98 -40.73 6.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -53.36 -44.58 68.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.871 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 47.3 mtp85 -76.0 -52.9 9.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.849 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 6.0 tp60 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 -179.941 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 20.6 mm-40 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.855 0.36 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.7 tp -65.09 -46.12 82.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.928 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -50.33 -44.34 54.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.5 mt -46.68 -48.4 20.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.913 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.503 ' CE2' ' HD3' ' A' ' 115' ' ' ARG . 10.6 t90 -47.21 -47.31 24.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.4 t -58.92 -40.18 79.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.099 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -56.93 -46.9 81.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -45.11 -33.61 2.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 6.1 mt . . . . . 0 C--N 1.33 -0.278 0 CA-C-O 121.603 0.716 . . . . 0.0 111.133 179.938 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.858 0.361 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.438 ' O ' ' C ' ' A' ' 41' ' ' SER . 18.2 m-85 -59.93 -49.35 78.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 40' ' ' PHE . 40.3 t -35.14 -39.15 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.84 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -54.34 -55.95 23.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.864 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 111.66 -45.08 1.37 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.507 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.442 ' CG1' ' HE2' ' A' ' 60' ' ' MET . 74.7 t -45.71 -36.91 2.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.891 0.377 . . . . 0.0 111.138 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 22.2 tp -62.01 -51.2 69.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.968 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 91.2 t -39.73 -50.3 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.09 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -45.8 -47.53 15.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.106 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -49.06 -48.68 43.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 92.9 t -46.82 -53.22 3.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.177 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.447 ' O ' ' C ' ' A' ' 51' ' ' LYS . 77.0 mt -51.25 -46.55 33.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.156 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 50' ' ' ILE . 13.5 tptm -34.55 -58.56 0.49 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -40.94 -47.77 3.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -75.09 -52.74 10.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -138.84 112.75 8.3 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.634 0.73 . . . . 0.0 110.891 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.71 -43.99 2.38 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.674 2.249 . . . . 0.0 112.333 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 15.8 ptpt -59.95 -42.24 93.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 48.1 mmm -49.63 -53.31 24.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.903 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 51.6 t -74.73 134.28 29.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.138 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -95.46 -58.0 2.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.442 ' HE2' ' CG1' ' A' ' 44' ' ' VAL . 3.7 mmt 59.55 45.98 12.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 8.7 m170 -131.68 -37.68 1.18 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.834 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -94.99 -45.98 7.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.418 ' C ' HG22 ' A' ' 64' ' ' VAL . 71.2 m-85 -58.89 147.59 33.35 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.465 ' CG1' ' HD2' ' A' ' 65' ' ' PRO . 85.2 t -155.83 138.67 10.59 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.604 0.716 . . . . 0.0 111.111 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.465 ' HD2' ' CG1' ' A' ' 64' ' ' VAL . 54.1 Cg_endo -69.78 127.62 14.83 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.647 2.231 . . . . 0.0 112.346 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -139.57 160.31 40.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.118 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 26.5 m120 -88.21 -55.01 3.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 41.7 t -43.04 160.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.826 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' A' ' 70' ' ' GLN . 12.2 mt -82.46 -44.78 15.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.913 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 69' ' ' LEU . 3.9 tm0? -38.02 -45.57 0.91 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.43 ' O ' ' C ' ' A' ' 72' ' ' LYS . 60.6 tp60 -68.26 -49.48 60.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.906 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 71' ' ' GLN . 17.1 mmtp -36.2 -56.42 0.76 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 77.7 mt -70.81 -35.75 72.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.935 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 39.4 t -51.1 -56.78 10.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -61.07 -61.92 2.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.885 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 37.1 m95 -41.3 -50.84 3.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.945 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -49.7 -48.17 36.71 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.492 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.463 ' O ' ' CG ' ' A' ' 82' ' ' LYS . 6.8 m-70 -64.94 -31.08 72.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.84 0.352 . . . . 0.0 110.862 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.8 tp -71.43 -12.75 61.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 40.6 t-20 -79.6 -32.63 41.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 39.1 mtm180 -109.7 1.7 19.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.463 ' CG ' ' O ' ' A' ' 78' ' ' HIS . 27.4 mmtt -111.64 -30.23 7.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.425 ' O ' ' C ' ' A' ' 84' ' ' LEU . 93.6 t -121.38 -71.42 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.171 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.425 ' C ' ' O ' ' A' ' 83' ' ' VAL . 65.6 mt -35.89 -60.33 0.54 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.94 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 12.5 tptm -46.39 -45.44 17.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 20.6 mmt180 -61.55 -36.85 81.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 15.3 mt -94.04 33.16 1.37 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.927 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 44.5 t30 43.16 29.49 0.21 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.923 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -108.31 157.17 18.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.856 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 59.5 p -155.15 142.22 19.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.839 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.461 ' CG1' ' HB ' ' A' ' 95' ' ' VAL . 72.2 t -145.31 135.33 11.77 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.661 0.743 . . . . 0.0 111.101 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 167.01 25.62 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.678 2.252 . . . . 0.0 112.336 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -66.68 -34.61 78.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -54.95 -47.62 74.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.834 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.461 ' HB ' ' CG1' ' A' ' 91' ' ' VAL . 22.8 t -59.41 -47.62 90.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.157 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 7.7 mtt -57.37 -52.55 64.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.892 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 18.0 mtm-85 -39.48 -46.51 1.71 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.83 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 33.1 mttp -61.0 -54.47 44.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.846 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 82.2 mt -49.16 -62.94 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.131 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -52.31 -24.94 8.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.055 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . 0.434 ' O ' ' C ' ' A' ' 102' ' ' CYS . 28.2 mm-40 -92.44 31.66 1.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . 0.434 ' C ' ' O ' ' A' ' 101' ' ' GLN . 4.8 t 35.79 44.49 0.23 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -76.67 143.05 71.05 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.541 0.686 . . . . 0.0 111.115 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . 0.422 ' O ' ' C ' ' A' ' 105' ' ' GLY . 53.7 Cg_endo -69.77 152.28 69.21 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.707 2.272 . . . . 0.0 112.306 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 104' ' ' PRO . . . 35.56 59.3 0.85 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.481 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 91.5 t -131.01 -61.71 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.866 0.365 . . . . 0.0 111.126 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 12.0 p -60.75 -38.13 77.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.121 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 31.4 mp0 -58.26 -38.98 78.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 56.6 mt -53.33 -16.82 1.48 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.9 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 48.4 t -104.77 -28.04 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.142 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 94.3 mt -67.56 -42.83 81.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.945 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.505 ' N ' ' HD2' ' A' ' 113' ' ' PRO . 3.1 mt -48.96 -58.41 8.7 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.646 0.736 . . . . 0.0 111.129 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.505 ' HD2' ' N ' ' A' ' 112' ' ' ILE . 54.3 Cg_endo -69.72 -33.35 16.94 Favored 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.692 2.262 . . . . 0.0 112.361 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 16.8 tp -41.87 -45.63 3.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.956 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . 0.503 ' HD3' ' CE2' ' A' ' 23' ' ' TRP . 13.1 mtm180 -67.41 -58.43 4.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.866 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 115' ' ' ARG . 10.2 mt-30 -34.4 -38.92 0.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.918 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -78.38 -52.04 9.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 83.5 mt -51.68 -46.96 64.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.933 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -58.34 -42.19 86.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -51.32 -55.17 19.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 29.8 mtt85 -67.24 -51.37 53.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 80.1 mm-40 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.855 0.36 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.447 ' CD2' ' HG3' ' A' ' 108' ' ' GLU . 6.5 tp -67.43 -30.96 70.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -70.4 -25.55 63.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.933 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 70.0 mt -81.21 -46.37 14.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.925 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.48 ' O ' ' ND2' ' A' ' 26' ' ' ASN . 27.7 t90 -47.76 -44.22 27.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 47.7 t -58.32 -26.9 31.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.071 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -71.92 -46.97 55.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.489 ' OD1' ' N ' ' A' ' 27' ' ' ILE . 0.6 OUTLIER -52.67 -43.58 65.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 -179.923 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.489 ' N ' ' OD1' ' A' ' 26' ' ' ASN . 88.4 mt . . . . . 0 C--N 1.329 -0.309 0 CA-C-O 121.632 0.729 . . . . 0.0 111.074 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.1 t70 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.815 0.341 . . . . 0.0 110.836 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.425 ' CE1' HD22 ' A' ' 45' ' ' LEU . 6.1 m-85 -47.24 -44.14 22.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 40' ' ' PHE . 7.3 p -37.73 -33.25 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.879 -179.793 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -56.26 -51.3 68.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 105.57 -42.36 1.92 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.489 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 69.9 t -55.74 -35.87 41.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.866 0.365 . . . . 0.0 111.131 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.425 HD22 ' CE1' ' A' ' 40' ' ' PHE . 13.0 tp -64.01 -50.27 69.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.966 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 85.9 t -49.7 -44.37 19.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.147 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -53.6 -37.56 63.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.085 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -66.14 -39.02 89.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 57.3 t -57.2 -39.8 69.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.145 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 46.9 mt -64.81 -34.21 68.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.147 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 27.1 tptt -43.02 -54.26 4.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -44.04 -55.84 4.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.448 ' CD2' ' HB3' ' A' ' 118' ' ' LEU . 59.8 m-85 -64.87 -56.46 13.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 -139.95 108.87 7.02 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.656 0.741 . . . . 0.0 110.873 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -31.79 19.68 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.714 2.276 . . . . 0.0 112.323 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 14.8 pttp -69.22 -44.24 72.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.926 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 19.0 mmm -56.38 -29.43 61.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 90.6 t -84.26 128.29 39.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.124 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -123.66 84.04 2.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 6.9 mmt -83.09 56.44 3.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 8.2 m170 -130.53 -33.57 1.64 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -93.64 -47.99 6.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -63.91 125.17 23.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.94 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.416 ' CG1' ' HD2' ' A' ' 65' ' ' PRO . 89.3 t -121.3 137.56 26.98 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.629 0.728 . . . . 0.0 111.135 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.416 ' HD2' ' CG1' ' A' ' 64' ' ' VAL . 53.4 Cg_endo -69.75 107.17 1.8 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.652 2.235 . . . . 0.0 112.357 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.414 ' O ' ' NZ ' ' A' ' 72' ' ' LYS . . . -109.53 176.52 5.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.092 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 57.0 m-20 -117.3 -39.27 3.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.0 m -59.17 171.79 0.69 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.403 ' CD1' ' C ' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -82.0 -58.05 3.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.939 179.947 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 69' ' ' LEU . 13.6 pt20 -38.07 -47.3 1.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.966 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -54.69 -47.5 73.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.414 ' NZ ' ' O ' ' A' ' 66' ' ' ALA . 0.0 OUTLIER -49.44 -64.37 0.83 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.901 179.939 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 22.9 mt -50.71 -46.33 58.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.897 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 6.2 t -55.56 -47.65 76.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.85 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 17.9 m-20 -61.03 -59.32 5.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.522 ' CZ2' HG23 ' A' ' 99' ' ' ILE . 34.9 m95 -48.98 -51.56 29.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -38.36 -50.94 2.31 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.479 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 17.7 m80 -62.64 -54.49 38.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.862 0.363 . . . . 0.0 110.891 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.0 tp -46.14 -22.49 0.23 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.936 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.401 ' HA ' ' CD1' ' A' ' 84' ' ' LEU . 37.9 t-20 -77.83 -38.63 45.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 19.2 mmm180 -103.32 4.65 36.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 13.8 mmtm -115.16 -31.88 5.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.417 ' O ' ' C ' ' A' ' 84' ' ' LEU . 78.6 t -117.16 -74.44 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.122 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 87' ' ' LEU . 73.7 mt -36.52 -58.31 0.72 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 19.6 ttpp -38.48 -53.15 1.57 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 29.8 mmt180 -57.36 -38.45 74.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.81 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 84' ' ' LEU . 18.3 mt -84.62 29.43 0.61 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.927 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 60.6 t30 42.72 34.84 0.62 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -111.84 144.11 41.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 57.7 m -134.36 147.51 50.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.466 ' CG1' ' HD2' ' A' ' 92' ' ' PRO . 97.7 t -147.83 138.89 13.34 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.581 0.705 . . . . 0.0 111.158 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.466 ' HD2' ' CG1' ' A' ' 91' ' ' VAL . 53.5 Cg_endo -69.8 163.0 39.94 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.702 2.268 . . . . 0.0 112.319 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -73.31 -20.32 60.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -72.43 -49.19 35.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.905 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 16.4 t -60.64 -32.98 53.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.147 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 11.6 mtm -63.28 -44.59 94.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.871 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 41.1 mtt180 -49.9 -52.3 34.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.84 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 30.2 mttm -53.1 -58.36 7.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.88 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.522 HG23 ' CZ2' ' A' ' 76' ' ' TRP . 83.4 mt -44.37 -56.07 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.078 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -61.57 -23.64 66.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.113 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 9.9 mm-40 -83.96 16.48 2.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.935 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 63.0 m 51.17 54.38 11.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -96.26 121.4 60.51 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.625 0.726 . . . . 0.0 111.095 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.71 128.83 16.64 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.7 2.267 . . . . 0.0 112.372 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 101.17 -51.28 0.96 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.464 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 40.3 t -47.23 -72.19 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.867 0.365 . . . . 0.0 111.118 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 6.0 p -49.92 -34.01 9.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.101 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.447 ' HG3' ' CD2' ' A' ' 20' ' ' LEU . 2.3 tp10 -56.41 -44.35 80.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.912 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 34.7 mt -57.54 -19.35 24.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 2.1 t -94.94 -18.62 6.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.172 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 90.5 mt -80.49 -29.65 37.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.516 ' N ' ' HD2' ' A' ' 113' ' ' PRO . 3.8 mt -62.72 -57.99 19.08 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.628 0.728 . . . . 0.0 111.145 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.516 ' HD2' ' N ' ' A' ' 112' ' ' ILE . 54.0 Cg_endo -69.81 -35.43 12.51 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.661 2.241 . . . . 0.0 112.343 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 13.5 tp -50.43 -60.35 3.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.919 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . 0.411 ' HG3' ' N ' ' A' ' 116' ' ' GLN . 46.6 ptt85 -55.19 -41.6 72.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . 0.411 ' N ' ' HG3' ' A' ' 115' ' ' ARG . 40.0 mt-30 -53.8 -34.59 59.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.922 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -76.03 -40.38 53.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.839 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.448 ' HB3' ' CD2' ' A' ' 53' ' ' TYR . 68.5 mt -66.27 -34.36 77.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -66.47 -27.82 68.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -93.65 -17.2 23.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.845 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 4.9 mmm180 -85.28 -37.64 19.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.875 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 -179.982 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 71.3 mm-40 . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.795 0.331 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.0 tp -76.74 -28.27 55.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -72.64 -24.35 61.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.955 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 34.5 mt -80.9 -49.25 11.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.937 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.446 ' CH2' HG12 ' A' ' 49' ' ' VAL . 12.7 t90 -42.47 -34.89 0.91 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.952 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 74.4 t -67.25 -43.54 88.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.133 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -52.62 -51.22 60.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 31.3 t30 -43.71 -51.83 6.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 65.7 mt . . . . . 0 C--N 1.33 -0.278 0 CA-C-O 121.573 0.701 . . . . 0.0 111.173 179.908 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 40' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.834 0.349 . . . . 0.0 110.864 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.441 ' O ' ' C ' ' A' ' 41' ' ' SER . 8.2 m-85 -37.72 -41.14 0.47 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.46 ' CB ' ' SG ' ' A' ' 102' ' ' CYS . 77.9 p -34.76 -45.66 0.26 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.866 -179.814 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -79.81 154.69 28.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -84.61 38.17 2.92 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.503 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 58.9 t -115.14 -41.81 3.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.892 0.377 . . . . 0.0 111.143 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.2 -47.65 64.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.923 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 57.5 t -50.57 -52.56 15.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.139 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -38.97 -58.16 1.15 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.073 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -42.02 -51.26 4.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.446 HG12 ' CH2' ' A' ' 23' ' ' TRP . 97.6 t -46.65 -38.96 3.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.142 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.402 ' O ' ' C ' ' A' ' 51' ' ' LYS . 16.5 mt -77.04 -44.05 31.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 50' ' ' ILE . 11.2 tptm -36.54 -40.81 0.27 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 27.9 t80 -52.78 -55.55 22.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -75.22 -48.06 25.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -129.91 95.23 29.24 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.603 0.716 . . . . 0.0 110.829 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -33.04 17.54 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.668 2.245 . . . . 0.0 112.361 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.9 mmmt -71.57 -50.92 26.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 25.3 mmm -43.99 -42.19 5.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.899 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 58.1 t -80.7 123.94 37.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.128 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.9 mp0 -114.32 85.78 2.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.402 ' O ' ' N ' ' A' ' 62' ' ' ASN . 6.1 mmt -61.38 -46.37 90.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.848 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 35.0 t60 -38.76 -31.14 0.05 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.851 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.402 ' N ' ' O ' ' A' ' 60' ' ' MET . 35.4 m-20 -91.43 -46.46 7.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -79.75 129.61 34.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.96 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.472 ' CG1' ' HD2' ' A' ' 65' ' ' PRO . 90.8 t -135.11 138.79 30.08 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.622 0.725 . . . . 0.0 111.115 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.472 ' HD2' ' CG1' ' A' ' 64' ' ' VAL . 53.9 Cg_endo -69.77 104.19 1.28 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.697 2.265 . . . . 0.0 112.345 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -97.72 169.45 9.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.123 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -121.65 45.77 2.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.878 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 90.9 p -157.15 120.57 4.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.435 ' O ' ' C ' ' A' ' 70' ' ' GLN . 0.7 OUTLIER -39.33 -60.93 0.85 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.91 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 69' ' ' LEU . 9.9 mm100 -35.44 -47.73 0.45 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.412 ' O ' ' C ' ' A' ' 72' ' ' LYS . 8.1 tm0? -65.62 -49.97 66.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 71' ' ' GLN . 5.7 mmpt? -36.89 -66.59 0.22 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 56.6 mt -48.69 -50.76 31.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.9 t -40.8 -46.05 2.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 35.8 m-20 -68.12 -55.3 12.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 44.0 m95 -42.12 -49.22 4.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.931 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -48.64 -44.45 29.84 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.508 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 12.2 m170 -67.55 -33.62 75.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.86 0.362 . . . . 0.0 110.918 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 5.3 tp -72.99 -10.11 59.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.911 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.4 ' CG ' HD11 ' A' ' 84' ' ' LEU . 35.0 t-20 -88.2 -28.86 20.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 70.2 mtt180 -109.37 0.02 19.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 30.0 mmtt -110.65 -36.31 5.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 85.3 t -110.71 -69.95 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.138 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 87' ' ' LEU . 82.8 mt -41.59 -61.7 1.02 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 14.7 tptp -41.91 -50.55 4.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -62.57 -31.33 72.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.87 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.429 ' N ' ' O ' ' A' ' 84' ' ' LEU . 13.1 mt -96.44 29.18 2.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 42.33 34.12 0.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -109.22 140.89 42.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 53.3 m -132.57 132.3 42.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 10.5 t -129.83 131.22 23.38 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.672 0.748 . . . . 0.0 111.094 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.459 ' HG2' ' CG2' ' A' ' 95' ' ' VAL . 53.9 Cg_endo -69.7 148.01 64.48 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.669 2.246 . . . . 0.0 112.381 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -61.49 -34.06 74.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.834 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -58.66 -37.14 75.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.825 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.459 ' CG2' ' HG2' ' A' ' 92' ' ' PRO . 18.6 t -72.72 -42.91 61.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.141 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 5.4 mtm -58.04 -45.75 86.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 26.7 mtt-85 -47.73 -41.0 21.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 22.7 mtpt -72.71 -45.77 57.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.948 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 60.7 mt -51.58 -46.22 36.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.124 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.74 -22.91 65.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.094 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -81.46 1.2 34.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . 0.46 ' SG ' ' CB ' ' A' ' 41' ' ' SER . 12.7 m 61.76 48.54 5.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -87.76 139.25 31.2 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.594 0.711 . . . . 0.0 111.124 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 124.05 10.68 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.645 2.23 . . . . 0.0 112.348 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.427 ' O ' ' C ' ' A' ' 106' ' ' VAL . . . 100.76 -60.47 0.64 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.478 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.427 ' C ' ' O ' ' A' ' 105' ' ' GLY . 44.1 t -33.72 -73.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.896 0.379 . . . . 0.0 111.118 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.426 HG11 ' N ' ' A' ' 108' ' ' GLU . 10.8 p -44.7 -49.75 2.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.161 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.426 ' N ' HG11 ' A' ' 107' ' ' VAL . 26.7 mt-10 -52.53 -45.96 66.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.919 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 18.6 mt -53.64 -16.95 1.82 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 82.5 t -105.57 -19.64 6.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.102 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 46.9 mt -82.7 -40.72 20.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.514 ' N ' ' HD2' ' A' ' 113' ' ' PRO . 3.8 mt -50.14 -57.95 11.14 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.639 0.733 . . . . 0.0 111.166 179.806 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.514 ' HD2' ' N ' ' A' ' 112' ' ' ILE . 54.1 Cg_endo -69.73 -22.44 32.21 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.724 2.282 . . . . 0.0 112.353 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 22.3 tp -55.69 -60.47 3.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . 0.471 ' HD2' ' N ' ' A' ' 116' ' ' GLN . 6.1 ppt_? -59.3 -39.95 84.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . 0.471 ' N ' ' HD2' ' A' ' 115' ' ' ARG . 10.9 mt-30 -51.58 -18.95 1.29 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.947 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 23.2 mmm180 -96.9 -49.59 4.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.901 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 66.9 mt -59.19 -40.68 86.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -68.97 -22.48 64.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.498 ' OE1' ' N ' ' A' ' 120' ' ' GLU . 0.0 OUTLIER -83.29 -40.84 19.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.858 -179.914 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 20.9 mtp85 -72.55 -44.35 62.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 -179.939 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 57.0 mm-40 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.808 0.337 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.7 tp -73.77 -43.35 59.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -61.94 -53.53 54.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.928 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 70.7 mt -48.08 -52.2 21.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.905 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.513 ' CD2' ' HD2' ' A' ' 115' ' ' ARG . 4.8 t90 -43.35 -56.34 3.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 94.5 t -50.88 -61.01 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.112 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -45.68 -51.42 12.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -45.44 -29.84 1.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 28.0 mt . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 121.632 0.729 . . . . 0.0 111.084 179.949 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.861 0.362 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -80.23 -44.41 19.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.8 m -52.28 -36.0 51.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.842 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.435 ' OD1' ' CG2' ' A' ' 44' ' ' VAL . 5.1 t0 -67.93 -38.72 83.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.829 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 100.86 -42.05 2.02 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.516 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.435 ' CG2' ' OD1' ' A' ' 42' ' ' ASP . 90.9 t -44.7 -37.18 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.857 0.36 . . . . 0.0 111.112 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.55 -45.75 61.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.968 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 93.2 t -45.29 -41.62 2.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.113 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.41 ' CB ' ' HE2' ' A' ' 60' ' ' MET . . . -55.38 -52.93 61.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.058 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -46.54 -39.59 11.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.883 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 62.5 t -60.15 -38.29 76.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.137 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 23.6 mt -66.72 -29.75 47.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.112 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.433 ' HA ' ' CG2' ' A' ' 58' ' ' VAL . 19.1 tptm -50.52 -40.34 51.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -59.04 -27.13 65.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.87 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.542 ' CD2' ' HB3' ' A' ' 118' ' ' LEU . 66.3 m-85 -96.46 -67.21 0.86 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.963 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -133.33 129.51 20.76 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.648 0.737 . . . . 0.0 110.831 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -51.06 0.41 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.718 2.279 . . . . 0.0 112.345 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.8 ptmt -57.1 -27.98 62.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 74.7 mmm -72.17 -32.55 66.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.433 ' CG2' ' HA ' ' A' ' 51' ' ' LYS . 85.1 t -55.05 -68.88 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.124 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 61.05 52.74 3.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.41 ' HE2' ' CB ' ' A' ' 47' ' ' ALA . 11.5 mmt -89.38 48.37 1.6 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.859 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 40.6 t-80 -120.46 -49.55 2.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.828 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.496 ' OD1' ' N ' ' A' ' 63' ' ' TYR . 7.3 p30 -68.23 -51.42 45.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.496 ' N ' ' OD1' ' A' ' 62' ' ' ASN . 36.4 m-85 -57.9 154.6 11.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.417 HG12 ' N ' ' A' ' 65' ' ' PRO . 84.7 t -145.55 136.96 12.75 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.638 0.732 . . . . 0.0 111.144 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.417 ' N ' HG12 ' A' ' 64' ' ' VAL . 54.1 Cg_endo -69.75 114.2 3.62 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.714 2.276 . . . . 0.0 112.333 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -120.77 154.15 36.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.101 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -105.45 37.51 2.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 68.8 p -132.43 129.59 39.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.827 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.411 ' CD1' ' C ' ' A' ' 69' ' ' LEU . 0.7 OUTLIER -49.48 -57.34 7.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.943 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -38.69 -55.57 1.44 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.427 ' O ' ' C ' ' A' ' 72' ' ' LYS . 33.1 tp60 -58.17 -52.38 65.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.892 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 71' ' ' GLN . 13.1 mmtp -36.03 -56.12 0.74 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.88 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 15.8 mt -60.32 -43.17 96.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.924 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.9 t -47.47 -60.47 2.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 11.3 m-20 -45.24 -56.18 5.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.86 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 40.7 m95 -47.02 -59.45 3.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.93 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -40.4 -41.13 2.15 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.515 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 34.6 m-70 -73.88 -47.02 41.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.801 0.334 . . . . 0.0 110.838 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.3 tp -58.96 -11.39 3.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.944 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 52.8 t-20 -84.35 -35.87 22.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 87.8 mtm180 -107.92 0.67 22.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -109.73 -29.74 8.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.935 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 53.8 t -116.75 -74.38 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.14 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.481 ' O ' ' N ' ' A' ' 87' ' ' LEU . 77.5 mt -38.97 -51.32 1.79 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 84' ' ' LEU . 28.6 tttm -36.76 -49.97 0.81 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.933 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 23.4 mmt180 -56.05 -40.0 72.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.481 ' N ' ' O ' ' A' ' 84' ' ' LEU . 17.6 mt -85.47 27.47 0.82 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 38.6 t30 41.01 30.49 0.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.937 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -103.79 136.51 43.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.921 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 79.2 p -128.75 145.27 51.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.466 ' CG1' ' HB ' ' A' ' 95' ' ' VAL . 91.2 t -142.14 136.4 14.94 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.642 0.734 . . . . 0.0 111.104 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 155.78 64.85 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.63 2.22 . . . . 0.0 112.321 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -62.17 -20.03 63.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.897 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -71.07 -43.76 67.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.466 ' HB ' ' CG1' ' A' ' 91' ' ' VAL . 26.0 t -64.75 -28.79 45.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.115 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 10.3 mtm -73.23 -51.03 19.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 88.4 mtt180 -45.97 -40.2 10.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 72.6 mttt -64.49 -56.26 15.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 77.8 mt -48.59 -56.73 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.154 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -59.63 -19.41 49.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 32.3 mm-40 -90.75 24.86 2.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 79.9 m 41.52 39.47 1.09 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -82.13 126.6 74.24 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.531 0.681 . . . . 0.0 111.159 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 134.46 28.03 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.672 2.248 . . . . 0.0 112.314 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 73.33 44.33 34.82 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.5 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 46.1 t -134.04 -59.24 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.822 0.344 . . . . 0.0 111.087 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 10.1 p -61.97 -37.81 79.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.134 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 55.9 mp0 -58.18 -38.41 76.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 19.6 mt -57.45 -19.23 22.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 46.3 t -104.35 -16.0 7.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.121 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 72.6 mt -84.63 -31.77 24.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.939 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.53 ' N ' ' HD2' ' A' ' 113' ' ' PRO . 4.7 mt -59.38 -57.44 26.97 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.6 0.714 . . . . 0.0 111.074 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.53 ' HD2' ' N ' ' A' ' 112' ' ' ILE . 53.6 Cg_endo -69.73 -26.58 27.58 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.652 2.235 . . . . 0.0 112.342 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 6.8 tp -63.97 -56.13 17.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.94 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . 0.513 ' HD2' ' CD2' ' A' ' 23' ' ' TRP . 44.9 ttt-85 -56.86 -43.69 81.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.839 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 -51.63 -43.59 62.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 60.3 mmt-85 -69.9 -45.64 67.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.542 ' HB3' ' CD2' ' A' ' 53' ' ' TYR . 25.3 mt -52.16 -50.67 61.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -57.4 -38.06 73.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -59.82 -49.86 76.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.84 -41.46 82.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.959 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 74.3 mm-40 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.809 0.338 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.444 HD12 ' CB ' ' A' ' 111' ' ' LEU . 5.4 tp -67.07 -30.52 70.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -71.12 -21.57 62.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 63.5 mt -80.33 -46.14 16.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.924 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 3.8 t90 -45.67 -60.91 1.94 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 74.2 t -46.55 -42.5 5.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.144 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -43.38 -46.28 6.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 23.1 t30 -53.27 -52.89 57.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 27.5 mt . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 121.604 0.716 . . . . 0.0 111.149 179.902 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.498 ' O ' ' N ' ' A' ' 41' ' ' SER . 57.2 m-20 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.808 0.337 . . . . 0.0 110.827 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.438 ' C ' ' O ' ' A' ' 39' ' ' ASP . 3.3 m-85 -35.24 -31.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' ' 39' ' ' ASP . 30.0 t -42.73 -48.01 5.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.81 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.53 132.91 38.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.869 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -72.89 -36.31 57.64 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.493 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 47.5 t -46.54 -42.44 5.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.844 0.354 . . . . 0.0 111.117 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.458 ' CD2' ' HB3' ' A' ' 39' ' ' ASP . 32.4 tp -64.5 -56.1 16.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.931 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 58.2 t -39.35 -41.11 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.15 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -49.38 -44.9 45.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.108 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -58.04 -38.15 75.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 95.5 t -55.99 -32.8 34.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.116 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 34.3 mt -75.47 -34.68 30.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.094 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 17.2 tptp -43.78 -45.35 7.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -53.58 -40.53 65.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.557 ' CE1' HD13 ' A' ' 118' ' ' LEU . 83.5 m-85 -81.68 -62.25 1.7 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.883 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -133.12 122.54 17.39 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.638 0.733 . . . . 0.0 110.847 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -50.96 0.42 Allowed 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.695 2.263 . . . . 0.0 112.327 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 57' ' ' MET . 29.6 mttm -53.88 -56.6 16.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.925 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.408 ' C ' ' O ' ' A' ' 56' ' ' LYS . 33.5 mmm -36.74 -36.85 0.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 43.6 t -81.47 132.37 31.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.108 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -133.24 99.39 4.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 8.5 mmt -95.18 55.6 1.8 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 8.7 m80 -128.68 -30.5 2.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.408 ' OD1' ' CD1' ' A' ' 63' ' ' TYR . 5.0 p30 -94.49 -57.75 2.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.408 ' CD1' ' OD1' ' A' ' 62' ' ' ASN . 24.5 m-85 -56.26 155.28 6.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.932 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.474 ' CG1' ' HD2' ' A' ' 65' ' ' PRO . 87.2 t -148.66 138.7 12.93 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.591 0.71 . . . . 0.0 111.164 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.474 ' HD2' ' CG1' ' A' ' 64' ' ' VAL . 53.6 Cg_endo -69.79 108.61 2.12 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.693 2.262 . . . . 0.0 112.338 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.441 ' O ' ' NZ ' ' A' ' 72' ' ' LYS . . . -125.14 161.77 26.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.083 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -118.19 25.07 10.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.85 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.1 t -118.17 130.46 56.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -39.98 -54.8 2.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.955 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -44.37 -59.29 2.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -57.86 -47.93 81.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.441 ' NZ ' ' O ' ' A' ' 66' ' ' ALA . 6.9 mmpt? -42.73 -65.63 0.45 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.426 HD12 ' CD ' ' A' ' 97' ' ' ARG . 15.2 mt -60.5 -44.88 95.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.944 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.5 t -40.45 -48.2 2.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 50.1 m-20 -63.81 -53.47 50.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.869 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.551 ' CZ2' HG22 ' A' ' 99' ' ' ILE . 60.9 m95 -46.46 -51.95 14.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.952 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -52.27 -39.79 51.73 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.48 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -70.73 -42.12 70.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.848 0.356 . . . . 0.0 110.892 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.8 tp -63.74 -22.98 67.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 37.0 t-20 -74.11 -30.71 62.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 81.2 mtt180 -105.87 3.42 28.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.913 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.9 mmmp? -118.07 -29.34 5.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.421 ' O ' ' C ' ' A' ' 84' ' ' LEU . 87.3 t -117.86 -74.68 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.141 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.462 ' O ' ' N ' ' A' ' 87' ' ' LEU . 83.2 mt -36.28 -60.73 0.55 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.963 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 84' ' ' LEU . 0.0 OUTLIER -35.88 -56.69 0.7 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.842 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 13.5 mmm180 -54.05 -40.29 67.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.897 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.462 ' N ' ' O ' ' A' ' 84' ' ' LEU . 16.1 mt -86.48 29.58 0.77 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.944 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 40.18 37.52 0.42 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -111.86 142.08 44.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.848 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 89.7 p -142.02 148.11 37.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.826 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.474 ' CG1' ' HD2' ' A' ' 92' ' ' PRO . 93.0 t -151.37 138.82 12.31 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.618 0.723 . . . . 0.0 111.106 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.474 ' HD2' ' CG1' ' A' ' 91' ' ' VAL . 53.9 Cg_endo -69.8 166.03 29.03 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.697 2.265 . . . . 0.0 112.358 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.18 -48.69 67.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -43.03 -42.74 3.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.401 ' CG2' ' HG2' ' A' ' 92' ' ' PRO . 71.4 t -70.03 -40.62 78.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.162 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 5.5 mtm -60.95 -53.7 54.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.841 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.426 ' CD ' HD12 ' A' ' 73' ' ' LEU . 22.7 mmm-85 -42.96 -52.35 5.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.84 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 34.0 mttm -54.47 -45.46 73.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.551 HG22 ' CZ2' ' A' ' 76' ' ' TRP . 87.8 mt -54.29 -55.6 13.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -61.47 -14.44 28.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.105 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 22.5 mm-40 -95.73 11.28 34.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.936 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 51.3 m 57.32 54.2 6.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.465 ' HB1' ' CG2' ' A' ' 106' ' ' VAL . . . -90.2 125.21 60.99 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.59 0.71 . . . . 0.0 111.115 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 132.8 24.02 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.716 2.277 . . . . 0.0 112.359 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 82.81 -13.52 42.48 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.497 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.465 ' CG2' ' HB1' ' A' ' 103' ' ' ALA . 89.0 t -79.58 -72.63 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.901 0.382 . . . . 0.0 111.131 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 3.5 p -49.55 -38.07 12.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.114 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.423 ' HG2' ' CD2' ' A' ' 20' ' ' LEU . 41.4 mt-10 -56.57 -45.51 81.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 12.1 mt -48.67 -24.41 1.36 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.933 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 11.3 t -96.8 -23.58 4.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.144 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.444 ' CB ' HD12 ' A' ' 20' ' ' LEU . 93.2 mt -78.72 -42.79 27.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.512 ' N ' ' HD2' ' A' ' 113' ' ' PRO . 2.9 mt -42.92 -58.36 4.02 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.597 0.713 . . . . 0.0 111.12 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.512 ' HD2' ' N ' ' A' ' 112' ' ' ILE . 53.6 Cg_endo -69.75 -35.93 11.75 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.644 2.229 . . . . 0.0 112.358 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 6.2 tp -41.38 -63.63 0.67 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . 0.408 ' HD3' ' C ' ' A' ' 115' ' ' ARG . 0.0 OUTLIER -53.64 -45.35 70.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 179.926 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -55.01 -35.42 64.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 11.7 mmp_? -75.31 -52.07 11.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.884 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.557 HD13 ' CE1' ' A' ' 53' ' ' TYR . 60.8 mt -49.79 -36.86 27.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.952 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -56.53 -52.68 63.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -60.89 -46.11 91.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . 0.425 ' HG3' ' CD2' ' A' ' 87' ' ' LEU . 10.8 mmm180 -52.69 -39.97 62.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.915 -179.941 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 47.3 mm-40 . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.801 0.334 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.1 tp -69.68 -39.43 76.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.924 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -65.77 -51.16 61.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.935 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.2 mt -53.98 -51.95 62.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.876 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.55 ' CZ2' ' HB3' ' A' ' 115' ' ' ARG . 4.3 t90 -40.17 -45.26 1.99 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.409 HG22 ' CE3' ' A' ' 23' ' ' TRP . 58.1 t -79.45 -50.13 18.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.103 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 52.2 m-20 -41.95 -42.05 2.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -61.9 -48.27 81.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 90.5 mt . . . . . 0 C--N 1.329 -0.283 0 CA-C-O 121.646 0.736 . . . . 0.0 111.111 179.932 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 37.5 t0 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.888 0.375 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.548 ' CD1' HD11 ' A' ' 111' ' ' LEU . 13.4 m-85 -85.77 -33.59 21.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.862 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.7 t -41.48 -33.7 0.46 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.866 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -83.84 123.09 29.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.893 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.83 -21.64 75.19 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.505 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 24.5 t -54.32 -18.19 2.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.841 0.353 . . . . 0.0 111.14 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 22.7 tp -99.65 -48.26 4.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.936 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 78.3 t -45.41 -37.85 2.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.161 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.62 -44.65 95.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.097 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -51.54 -50.23 60.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 90.0 t -45.4 -45.79 3.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.13 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 56.5 mt -60.92 -35.64 66.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.141 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 7.7 tptm -45.81 -55.87 6.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.94 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -45.43 -47.13 13.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -74.88 -67.29 0.66 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.94 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.411 ' HA ' ' HD2' ' A' ' 55' ' ' PRO . 25.5 m-85 -124.62 105.68 30.1 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.65 0.738 . . . . 0.0 110.894 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 54' ' ' PHE . 53.2 Cg_endo -69.78 -47.83 0.84 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.697 2.265 . . . . 0.0 112.325 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 42.4 mtpt -55.64 -44.51 77.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 64.5 mmm -55.92 -38.18 69.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.909 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 56.0 t -72.45 124.8 29.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.13 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -130.79 48.41 2.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.406 ' O ' ' N ' ' A' ' 62' ' ' ASN . 17.0 mtp -55.61 -19.19 9.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -43.25 -23.94 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.406 ' N ' ' O ' ' A' ' 60' ' ' MET . 67.3 m-20 -98.27 -40.42 8.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.863 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -72.41 141.92 48.68 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.933 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.441 ' CG1' ' HD2' ' A' ' 65' ' ' PRO . 98.0 t -140.99 138.37 17.94 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.643 0.735 . . . . 0.0 111.152 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.441 ' HD2' ' CG1' ' A' ' 64' ' ' VAL . 53.8 Cg_endo -69.73 110.57 2.58 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.645 2.23 . . . . 0.0 112.374 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -118.79 124.86 48.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.085 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -55.03 -32.22 61.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 50.7 m -63.1 139.97 58.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.441 ' O ' ' C ' ' A' ' 70' ' ' GLN . 1.0 OUTLIER -69.55 -57.64 4.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.93 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.441 ' C ' ' O ' ' A' ' 69' ' ' LEU . 78.2 mt-30 -34.58 -45.26 0.23 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 22.0 tp60 -57.98 -54.11 50.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.957 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.4 mmpt? -41.67 -60.36 1.37 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.894 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 14.6 mt -52.62 -48.66 66.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.896 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 4.2 t -53.45 -41.38 66.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.845 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -66.66 -56.31 11.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.546 ' CZ2' HG23 ' A' ' 99' ' ' ILE . 40.0 m95 -45.0 -51.27 10.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.914 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -49.56 -39.69 30.64 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.47 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 40.2 m170 -69.77 -44.59 69.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.821 0.343 . . . . 0.0 110.824 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.7 tp -59.66 -16.53 27.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 54.0 t-20 -79.61 -37.88 35.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 30.9 mtm180 -102.84 4.76 38.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 30.0 mmtt -116.65 -34.62 4.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 96.4 t -112.06 -74.73 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.422 ' O ' ' N ' ' A' ' 87' ' ' LEU . 24.3 mt -43.03 -42.75 3.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 6.3 tmtm? -44.43 -46.9 9.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.929 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 -74.71 -20.19 59.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.422 ' N ' ' O ' ' A' ' 84' ' ' LEU . 65.2 mt -96.27 20.32 10.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 44.25 31.28 0.54 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -111.75 131.25 55.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.838 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 82.8 p -121.07 150.71 40.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 13.4 t -152.15 130.24 6.1 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.594 0.711 . . . . 0.0 111.157 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 176.47 6.72 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.722 2.281 . . . . 0.0 112.335 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -79.57 -41.43 27.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.854 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 9.3 p30 -50.0 -34.82 22.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 54.8 t -79.09 -36.44 18.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.157 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 5.5 mtm -67.44 -51.13 55.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 33.7 mtp180 -43.64 -46.44 7.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 68.7 mttt -63.2 -44.76 94.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.546 HG23 ' CZ2' ' A' ' 76' ' ' TRP . 91.4 mt -52.35 -52.42 25.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.161 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.2 -23.61 64.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.058 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 -81.25 12.46 3.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.949 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 64.0 m 54.0 46.91 24.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -98.32 121.36 57.16 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.561 0.696 . . . . 0.0 111.143 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 151.7 69.24 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.676 2.251 . . . . 0.0 112.343 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 76.21 15.18 81.62 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.506 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 51.0 t -118.87 -65.61 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.883 0.373 . . . . 0.0 111.116 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 1.6 p -56.52 -35.22 43.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.137 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -59.74 -40.31 87.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 79.5 mt -52.64 -20.88 3.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.94 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 85.3 t -100.57 -23.69 4.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.154 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.548 HD11 ' CD1' ' A' ' 40' ' ' PHE . 86.4 mt -72.69 -40.75 65.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.523 ' N ' ' HD2' ' A' ' 113' ' ' PRO . 3.8 mt -53.24 -57.86 14.96 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.614 0.721 . . . . 0.0 111.138 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.523 ' HD2' ' N ' ' A' ' 112' ' ' ILE . 53.4 Cg_endo -69.84 -35.86 11.63 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.65 2.233 . . . . 0.0 112.32 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 5.9 tp -48.07 -61.55 1.92 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.914 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . 0.55 ' HB3' ' CZ2' ' A' ' 23' ' ' TRP . 51.1 ptt85 -55.37 -43.62 75.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 39.2 mm-40 -53.13 -42.24 65.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.954 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 43.8 mmt-85 -68.1 -55.28 13.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 10.2 mt -50.2 -40.84 48.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -55.18 -52.23 63.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.86 -49.63 74.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -57.04 -36.77 70.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.854 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.949 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 46.4 mm-40 . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.838 0.351 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.469 ' CD2' ' HG2' ' A' ' 108' ' ' GLU . 7.2 tp -73.72 -35.72 65.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -72.59 -22.67 60.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.2 mt -85.75 -41.76 14.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.904 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 4.4 t90 -53.82 -39.63 65.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.898 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.441 ' O ' ' C ' ' A' ' 25' ' ' ASP . 92.8 t -69.62 -52.49 31.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.121 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.441 ' C ' ' O ' ' A' ' 24' ' ' VAL . 2.4 t70 -35.01 -52.3 0.55 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 35.9 t30 -38.32 -53.43 1.49 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 25.8 mt . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 121.609 0.718 . . . . 0.0 111.156 179.881 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.43 ' O ' ' C ' ' A' ' 40' ' ' PHE . 8.9 t0 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.815 0.34 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.43 ' C ' ' O ' ' A' ' 39' ' ' ASP . 10.0 m-85 -35.46 -54.68 0.67 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.849 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 40' ' ' PHE . 42.6 t -37.09 -45.23 0.59 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 -179.791 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.546 ' CG ' ' N ' ' A' ' 43' ' ' GLY . 0.3 OUTLIER -43.73 -55.44 4.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 179.927 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.546 ' N ' ' CG ' ' A' ' 42' ' ' ASP . . . 117.59 -39.12 2.72 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.479 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.416 ' N ' ' OD2' ' A' ' 42' ' ' ASP . 22.0 t -62.34 -40.98 89.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.843 0.354 . . . . 0.0 111.13 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.417 HD23 ' N ' ' A' ' 40' ' ' PHE . 4.9 tp -63.91 -43.22 96.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.909 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 95.9 t -50.16 -47.88 24.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.137 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -50.44 -54.04 25.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.083 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -45.73 -48.52 15.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.861 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 89.9 t -50.2 -54.66 7.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.156 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 92.9 mt -50.37 -44.17 23.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.168 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.471 ' CD ' ' HA ' ' A' ' 55' ' ' PRO . 4.0 tppp? -38.61 -58.42 1.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.411 ' C ' ' O ' ' A' ' 51' ' ' LYS . 27.7 t80 -37.62 -52.62 1.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 58.0 m-85 -73.13 -54.64 7.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.954 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -129.96 97.52 23.38 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.635 0.731 . . . . 0.0 110.9 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.471 ' HA ' ' CD ' ' A' ' 51' ' ' LYS . 53.4 Cg_endo -69.7 -22.04 32.92 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.731 2.287 . . . . 0.0 112.344 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.401 ' HG3' ' N ' ' A' ' 57' ' ' MET . 16.0 pttp -78.87 -31.41 45.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.401 ' N ' ' HG3' ' A' ' 56' ' ' LYS . 21.2 mmm -64.28 -49.54 71.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.413 HG12 ' N ' ' A' ' 59' ' ' GLU . 93.2 t -76.33 139.09 19.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.115 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.413 ' N ' HG12 ' A' ' 58' ' ' VAL . 6.6 tt0 -115.61 -49.21 2.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 15.7 mmt 61.45 43.94 9.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 13.4 m170 -122.01 -34.18 3.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -95.82 -37.1 10.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.44 ' CZ ' HD11 ' A' ' 79' ' ' LEU . 52.3 m-85 -70.91 136.32 48.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 89.6 t -138.15 136.78 19.83 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.631 0.729 . . . . 0.0 111.141 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.71 97.42 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.726 2.284 . . . . 0.0 112.378 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -116.81 166.95 11.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.103 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -101.78 -40.09 7.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 16.2 m -46.06 140.83 3.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 32.9 tp -62.35 -47.72 82.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.914 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -51.57 -47.57 63.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -56.37 -52.04 66.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.431 ' NZ ' ' HA ' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -45.13 -67.74 0.26 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.47 ' HG ' ' CB ' ' A' ' 100' ' ' ALA . 13.6 mt -52.78 -50.33 63.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.553 ' O ' ' CE1' ' A' ' 78' ' ' HIS . 2.5 t -46.39 -36.2 6.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.871 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 -76.82 -47.6 20.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 37.3 m95 -56.65 -54.6 44.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.896 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -43.33 -41.03 4.92 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.475 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.553 ' CE1' ' O ' ' A' ' 74' ' ' SER . 0.3 OUTLIER -67.86 -49.81 59.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.86 0.362 . . . . 0.0 110.825 -179.929 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.44 HD11 ' CZ ' ' A' ' 63' ' ' TYR . 1.9 tp -56.28 -13.16 1.95 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.46 ' HA ' ' CD1' ' A' ' 84' ' ' LEU . 35.0 t-20 -82.48 -23.66 34.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 41.4 mtp180 -111.79 -19.57 12.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -92.49 -33.35 14.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.461 ' O ' ' C ' ' A' ' 84' ' ' LEU . 72.7 t -112.67 -76.5 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.121 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.461 ' C ' ' O ' ' A' ' 83' ' ' VAL . 73.7 mt -33.53 -53.07 0.41 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.933 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 12.1 tptp -43.15 -51.37 5.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 14.9 mmt85 -59.74 -31.08 69.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 9.6 mt -91.75 27.13 2.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.94 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 1.6 t30 41.38 34.88 0.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -108.54 161.36 15.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 22.8 p -154.81 131.65 10.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.469 ' CG1' ' HD2' ' A' ' 92' ' ' PRO . 84.3 t -127.58 138.63 33.25 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.608 0.718 . . . . 0.0 111.142 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.469 ' HD2' ' CG1' ' A' ' 91' ' ' VAL . 54.2 Cg_endo -69.72 159.19 54.38 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.685 2.257 . . . . 0.0 112.345 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -68.5 -15.96 63.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -75.64 -44.03 44.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.869 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 18.4 t -64.17 -28.95 46.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.101 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 6.7 mtm -67.55 -48.7 66.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 65.7 mmt-85 -48.54 -38.43 20.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 21.3 mttp -68.19 -59.82 2.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.909 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 66.4 mt -46.18 -47.13 6.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.114 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.47 ' CB ' ' HG ' ' A' ' 73' ' ' LEU . . . -65.59 -27.88 68.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.09 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 51.7 mm-40 -80.38 6.52 11.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 32.8 m 60.45 53.59 4.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.933 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -96.09 123.75 54.13 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.562 0.696 . . . . 0.0 111.088 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 121.22 7.91 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.645 2.23 . . . . 0.0 112.348 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 112.92 -57.33 0.44 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.478 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 45.0 t -46.49 -52.74 3.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.91 0.386 . . . . 0.0 111.154 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.455 ' CG1' ' N ' ' A' ' 108' ' ' GLU . 10.7 p -63.47 -48.38 87.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.111 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.469 ' HG2' ' CD2' ' A' ' 20' ' ' LEU . 9.7 tm-20 -53.6 -41.93 67.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 69.7 mt -58.25 -23.93 57.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 5.6 t -92.0 -26.9 4.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.104 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.41 HD11 ' CD2' ' A' ' 40' ' ' PHE . 77.2 mt -73.44 -36.8 65.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.918 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.52 ' N ' ' HD2' ' A' ' 113' ' ' PRO . 3.8 mt -56.11 -57.81 20.12 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.597 0.713 . . . . 0.0 111.142 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.52 ' HD2' ' N ' ' A' ' 112' ' ' ILE . 53.0 Cg_endo -69.82 -38.75 7.24 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.654 2.236 . . . . 0.0 112.314 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 9.3 tp -48.37 -46.9 37.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.919 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 30.3 ttt180 -63.53 -46.35 86.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.909 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -46.58 -38.81 10.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.422 ' O ' ' C ' ' A' ' 118' ' ' LEU . 22.6 mmm180 -72.92 -55.41 6.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.422 ' C ' ' O ' ' A' ' 117' ' ' ARG . 29.5 mt -36.2 -43.25 0.34 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -74.84 -44.43 49.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.903 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 117' ' ' ARG . 9.4 mt-10 -45.98 -23.13 0.26 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.868 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 43.1 mtt-85 -91.99 -43.74 9.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.956 -179.935 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 25.6 mm100 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.786 0.327 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.0 tp -68.34 -43.73 76.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -60.11 -45.01 94.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 21.4 mt -59.8 -38.73 82.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.909 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.463 ' CZ2' ' HB2' ' A' ' 115' ' ' ARG . 12.3 t90 -55.7 -34.23 64.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.428 ' O ' ' C ' ' A' ' 25' ' ' ASP . 83.3 t -84.09 -49.27 16.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.124 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 24' ' ' VAL . 6.3 t70 -35.3 -48.35 0.46 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -47.51 -49.77 25.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 22.6 mt . . . . . 0 C--N 1.329 -0.284 0 CA-C-O 121.626 0.727 . . . . 0.0 111.161 179.919 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 44.5 t0 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.846 0.355 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.492 ' O ' ' N ' ' A' ' 42' ' ' ASP . 6.0 m-85 -78.11 -40.35 38.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 40' ' ' PHE . 40.2 t -35.56 -31.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.882 -179.801 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.492 ' N ' ' O ' ' A' ' 40' ' ' PHE . 1.2 p30 -93.11 99.03 11.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.898 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 42' ' ' ASP . . . -34.77 -35.22 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.456 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.423 ' N ' ' O ' ' A' ' 42' ' ' ASP . 98.8 t -38.3 -56.2 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.816 0.341 . . . . 0.0 111.089 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 20.7 tp -58.84 -46.62 87.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 94.6 t -46.75 -55.42 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.157 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -46.91 -45.64 20.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.109 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 -47.14 -52.69 14.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.926 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 87.8 t -45.6 -58.28 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.099 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 38.2 mt -43.15 -42.65 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.098 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.447 ' O ' ' C ' ' A' ' 52' ' ' PHE . 0.2 OUTLIER -42.18 -61.58 1.13 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.847 179.897 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.447 ' C ' ' O ' ' A' ' 51' ' ' LYS . 5.9 t80 -34.66 -42.36 0.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -82.32 -56.83 3.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -134.18 114.51 12.68 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.682 0.753 . . . . 0.0 110.87 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -31.77 20.07 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.696 2.264 . . . . 0.0 112.337 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 57' ' ' MET . 23.2 mtpp -70.68 -61.61 1.7 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.431 ' C ' ' O ' ' A' ' 56' ' ' LYS . 50.6 mtp -36.2 -39.25 0.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.443 HG22 ' CA ' ' A' ' 51' ' ' LYS . 85.7 t -68.57 119.28 14.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.115 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -117.34 42.77 2.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.417 ' O ' ' C ' ' A' ' 61' ' ' HIS . 11.8 tpp -55.66 -39.26 70.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.866 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.417 ' C ' ' O ' ' A' ' 60' ' ' MET . 4.5 t-160 -36.26 -34.38 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.851 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.414 ' N ' ' O ' ' A' ' 60' ' ' MET . 1.4 m-20 -87.93 -52.53 5.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 91.9 m-85 -57.02 161.2 3.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.922 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.476 ' CG1' ' HD2' ' A' ' 65' ' ' PRO . 98.5 t -152.82 138.86 11.99 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.603 0.716 . . . . 0.0 111.165 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.476 ' HD2' ' CG1' ' A' ' 64' ' ' VAL . 53.7 Cg_endo -69.75 103.27 1.13 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.69 2.26 . . . . 0.0 112.361 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -95.09 169.47 10.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.101 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 9.5 m-20 -111.79 -37.54 5.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.887 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 24.3 t -71.33 112.67 7.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 23.0 tp -38.07 -38.29 0.32 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 90.2 mm-40 -53.18 -56.89 12.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.434 ' O ' ' C ' ' A' ' 72' ' ' LYS . 36.4 tp60 -56.27 -48.11 77.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 71' ' ' GLN . 11.5 mmmm -35.78 -60.23 0.54 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.91 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 12.9 mt -49.28 -50.56 38.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 23.0 t -41.52 -46.05 3.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 27.8 m-20 -63.0 -59.88 4.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.904 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 38.1 m95 -43.95 -58.27 2.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.96 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -38.86 -57.49 1.98 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.466 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.446 ' O ' ' N ' ' A' ' 82' ' ' LYS . 33.3 m80 -53.64 -43.38 68.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.791 0.329 . . . . 0.0 110.845 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.4 tp -53.84 -25.43 19.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 59.1 t-20 -68.27 -37.15 80.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 23.6 mmm180 -110.45 1.31 18.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.834 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 78' ' ' HIS . 32.4 mmtt -104.66 -27.86 11.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.894 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.428 ' O ' ' C ' ' A' ' 84' ' ' LEU . 44.2 t -128.99 -69.29 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.132 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 83' ' ' VAL . 78.3 mt -36.26 -55.22 0.81 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 34.7 tttm -40.15 -49.71 2.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.942 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.434 ' NH1' ' HB3' ' A' ' 86' ' ' ARG . 6.0 mmm180 -56.24 -39.99 73.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.41 ' O ' ' C ' ' A' ' 88' ' ' ASN . 10.5 mt -92.86 33.01 1.18 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.943 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 87' ' ' LEU . 4.2 m120 37.09 36.4 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -105.24 134.8 47.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 57.0 p -123.6 147.31 47.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 85.7 t -149.74 125.43 5.0 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.655 0.74 . . . . 0.0 111.095 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 135.4 30.33 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.651 2.234 . . . . 0.0 112.302 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -42.56 -36.65 1.42 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -51.88 -54.7 26.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 42.5 t -57.64 -37.8 60.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.141 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 11.1 mtm -62.96 -47.77 81.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.87 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 11.5 mmm180 -45.5 -49.63 13.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.878 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.451 ' HB3' ' CB ' ' A' ' 103' ' ' ALA . 23.2 mttm -61.05 -60.98 2.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 85.4 mt -38.88 -67.63 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.122 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -49.71 -31.94 12.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.131 179.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . 0.432 ' O ' ' C ' ' A' ' 102' ' ' CYS . 12.1 mm-40 -86.78 33.53 0.65 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . 0.432 ' C ' ' O ' ' A' ' 101' ' ' GLN . 21.8 p 34.69 38.37 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.451 ' CB ' ' HB3' ' A' ' 98' ' ' LYS . . . -55.29 162.47 2.16 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.587 0.708 . . . . 0.0 111.09 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . 0.425 ' O ' ' C ' ' A' ' 105' ' ' GLY . 53.4 Cg_endo -69.75 114.72 3.79 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.682 2.254 . . . . 0.0 112.323 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 104' ' ' PRO . . . 36.14 81.18 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.451 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.441 ' CG2' ' HB1' ' A' ' 103' ' ' ALA . 74.9 t -134.83 -54.5 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.87 0.367 . . . . 0.0 111.189 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 12.0 p -57.76 -28.34 32.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.14 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 39.5 mp0 -61.24 -45.01 96.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 20.9 mt -48.33 -22.48 0.7 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.929 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 40.8 t -100.29 -27.23 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.164 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 81.0 mt -71.65 -43.04 66.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.514 ' N ' ' HD2' ' A' ' 113' ' ' PRO . 3.7 mt -51.09 -57.92 12.2 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.599 0.714 . . . . 0.0 111.085 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.514 ' HD2' ' N ' ' A' ' 112' ' ' ILE . 54.1 Cg_endo -69.74 -21.23 33.88 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.685 2.257 . . . . 0.0 112.377 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 7.4 tp -52.86 -54.48 33.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . 0.463 ' HB2' ' CZ2' ' A' ' 23' ' ' TRP . 26.7 ttt180 -57.92 -45.3 86.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 11.9 mm-40 -49.84 -55.1 15.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -58.33 -50.89 72.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 35.5 mt -51.02 -46.31 61.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -47.43 -50.15 23.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -56.31 -24.44 43.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 6.8 mmt180 -88.94 -38.1 14.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 -179.995 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 28.5 mm100 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.812 0.339 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.41 HD22 ' CD ' ' A' ' 108' ' ' GLU . 20.7 tp -68.95 -37.19 78.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.546 ' CE1' ' OE1' ' A' ' 108' ' ' GLU . 10.6 m-85 -63.06 -41.33 99.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.943 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.464 ' O ' ' N ' ' A' ' 25' ' ' ASP . 14.0 mt -60.31 -52.75 63.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.892 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.415 ' HA ' ' ND2' ' A' ' 26' ' ' ASN . 20.0 t90 -39.32 -41.5 0.92 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.921 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 79.4 t -68.9 -38.48 78.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.155 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 22' ' ' LEU . 52.1 m-20 -63.58 -43.97 95.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.415 ' ND2' ' HA ' ' A' ' 23' ' ' TRP . 3.4 m-20 -53.43 -50.85 64.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 19.6 mt . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 121.645 0.736 . . . . 0.0 111.088 179.963 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.806 0.336 . . . . 0.0 110.854 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -43.72 -36.09 2.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 40.9 t -47.96 -40.34 22.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.868 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.422 ' HA ' ' CD ' ' A' ' 72' ' ' LYS . 1.1 m-20 -57.27 -43.26 82.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.846 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 112.44 -38.82 3.09 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.499 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 55.4 t -45.34 -51.93 2.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.853 0.359 . . . . 0.0 111.109 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -50.31 -57.46 7.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 93.5 t -43.03 -37.18 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.132 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.89 -53.2 34.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.075 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -49.81 -44.83 49.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.844 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 79.5 t -49.29 -51.53 13.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.12 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 38.1 mt -53.94 -41.37 49.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.16 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.2 tmtp? -37.08 -55.99 0.92 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -43.19 -45.05 5.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.864 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -75.66 -46.51 30.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.945 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.465 ' CZ ' ' HB3' ' A' ' 121' ' ' ARG . 55.2 m-85 -147.47 120.48 4.8 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.645 0.736 . . . . 0.0 110.835 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -38.49 7.7 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.649 2.232 . . . . 0.0 112.333 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 57' ' ' MET . 19.0 ptmt -65.38 -55.27 19.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.44 ' SD ' ' CD2' ' A' ' 54' ' ' PHE . 75.0 mtp -37.11 -55.1 0.97 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 72.5 t -65.2 114.57 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.127 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -118.38 99.67 6.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.87 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 90.0 mmm -89.88 53.52 2.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 61.7 t60 -112.47 -39.12 4.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.91 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.432 ' OD1' ' CE1' ' A' ' 63' ' ' TYR . 6.0 p30 -100.23 -26.89 13.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.432 ' CE1' ' OD1' ' A' ' 62' ' ' ASN . 21.9 m-85 -78.97 146.81 33.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.467 ' CG1' ' HD2' ' A' ' 65' ' ' PRO . 93.6 t -156.84 138.54 9.93 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.659 0.742 . . . . 0.0 111.146 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.467 ' HD2' ' CG1' ' A' ' 64' ' ' VAL . 53.9 Cg_endo -69.77 117.61 5.18 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.714 2.276 . . . . 0.0 112.34 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -129.18 -179.31 5.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 -118.79 -44.35 2.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 9.0 t -56.5 128.76 37.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.853 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 12.9 tp -52.78 -44.94 66.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.895 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 11.1 tp-100 -39.79 -50.14 2.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 72' ' ' LYS . 60.2 tp60 -62.59 -47.32 84.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.422 ' CD ' ' HA ' ' A' ' 42' ' ' ASP . 25.7 mmtm -37.07 -62.76 0.47 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.928 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 14.6 mt -54.84 -46.77 74.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 37.0 t -49.92 -59.91 3.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -48.83 -66.32 0.42 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.841 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.517 ' CZ2' HG23 ' A' ' 99' ' ' ILE . 40.5 m95 -39.82 -54.93 2.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -38.8 -60.6 1.47 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.541 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 12.4 m-70 -54.28 -36.77 63.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.845 0.355 . . . . 0.0 110.886 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.417 HD13 ' CZ ' ' A' ' 63' ' ' TYR . 3.3 tp -61.79 -20.78 63.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 64.5 t-20 -79.84 -28.71 40.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.851 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 9.8 mtt85 -110.21 1.87 18.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.49 -35.94 5.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.441 ' O ' ' C ' ' A' ' 84' ' ' LEU . 92.7 t -112.3 -71.9 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.146 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.441 ' C ' ' O ' ' A' ' 83' ' ' VAL . 41.2 mt -35.0 -57.99 0.54 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 84' ' ' LEU . 9.7 tppt? -35.84 -57.53 0.67 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 19.7 mmt180 -52.54 -44.68 65.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.426 ' O ' ' C ' ' A' ' 88' ' ' ASN . 10.8 mt -86.43 31.77 0.65 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . 0.426 ' C ' ' O ' ' A' ' 87' ' ' LEU . 16.0 m120 36.22 38.6 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -108.91 147.37 32.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 87.5 p -137.89 147.02 44.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.836 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 12.2 t -149.08 130.77 7.42 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.64 0.733 . . . . 0.0 111.126 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 176.0 7.38 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.672 2.248 . . . . 0.0 112.34 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -75.14 -46.75 32.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.843 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -44.68 -51.01 9.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 97.0 t -59.97 -43.05 91.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.155 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 6.1 mtm -61.51 -45.51 93.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -49.3 -48.53 46.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.405 ' HE2' ' CG2' ' A' ' 106' ' ' VAL . 31.4 mtpt -57.21 -56.17 25.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.517 HG23 ' CZ2' ' A' ' 76' ' ' TRP . 30.9 mt -47.44 -55.7 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.13 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -59.08 -22.82 61.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -84.91 14.16 5.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.954 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 38.9 t 58.77 40.17 23.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.883 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.4 ' HB1' ' CG2' ' A' ' 106' ' ' VAL . . . -77.74 118.34 71.46 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.587 0.708 . . . . 0.0 111.092 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.83 119.37 6.33 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.658 2.238 . . . . 0.0 112.333 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 105.83 -52.74 0.68 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.453 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.405 ' CG2' ' HE2' ' A' ' 98' ' ' LYS . 60.4 t -43.79 -62.52 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.895 0.378 . . . . 0.0 111.142 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 8.3 p -45.65 -38.68 2.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.101 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.546 ' OE1' ' CE1' ' A' ' 21' ' ' TYR . 4.9 mm-40 -64.3 -35.83 82.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 87.2 mt -53.68 -19.76 4.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 72.4 t -105.97 -25.23 3.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.162 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 75.8 mt -72.3 -39.44 68.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.945 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.526 ' N ' ' HD2' ' A' ' 113' ' ' PRO . 3.7 mt -55.28 -57.88 17.98 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.605 0.716 . . . . 0.0 111.14 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.526 ' HD2' ' N ' ' A' ' 112' ' ' ILE . 53.6 Cg_endo -69.76 -35.97 11.66 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.675 2.25 . . . . 0.0 112.347 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 7.3 tt -58.09 -56.42 22.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.95 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 20.2 ttt180 -53.48 -40.41 65.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 7.3 mm100 -53.02 -56.02 19.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.935 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.431 ' O ' ' N ' ' A' ' 120' ' ' GLU . 9.4 mpt_? -52.46 -53.41 45.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.415 ' C ' ' O ' ' A' ' 117' ' ' ARG . 26.2 mt -36.77 -56.98 0.82 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -45.39 -40.96 8.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.848 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 117' ' ' ARG . 8.3 tm-20 -55.66 -49.84 71.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . 0.465 ' HB3' ' CZ ' ' A' ' 54' ' ' PHE . 69.5 mtt-85 -68.19 -37.18 80.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.942 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 22.5 mm100 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.863 0.363 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.431 ' CD2' ' HG2' ' A' ' 108' ' ' GLU . 6.6 tp -64.35 -35.46 80.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -63.88 -13.79 48.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 38.8 mt -91.19 -47.68 7.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.867 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 26.2 t90 -46.58 -48.42 19.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.899 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.409 ' O ' ' C ' ' A' ' 25' ' ' ASP . 85.4 t -62.09 -45.93 97.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.098 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 24' ' ' VAL . 42.3 t0 -37.0 -55.51 0.92 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -41.69 -53.31 3.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 49.2 mt . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 121.64 0.733 . . . . 0.0 111.15 179.91 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.804 0.335 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -76.97 -40.21 47.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.3 t -44.15 -30.02 0.71 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.828 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 45.4 t0 -90.56 136.9 32.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.836 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -80.28 44.11 2.81 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.464 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 91.2 t -115.21 -39.96 2.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.84 0.352 . . . . 0.0 111.096 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.2 tp -77.77 -43.87 29.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.932 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 97.1 t -40.97 -38.57 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.122 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.88 -43.38 98.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.08 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -51.87 -45.88 64.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 98.4 t -53.9 -30.87 19.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.121 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 38.1 mt -72.05 -40.98 67.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.102 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.4 tppt? -41.55 -50.69 4.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 45.3 t80 -46.67 -43.09 17.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.836 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.558 ' CE2' HD13 ' A' ' 118' ' ' LEU . 81.9 m-85 -85.24 -65.96 0.95 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.957 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -124.9 120.9 25.52 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.629 0.728 . . . . 0.0 110.869 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -50.7 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.693 2.262 . . . . 0.0 112.346 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.442 ' HD3' ' N ' ' A' ' 56' ' ' LYS . 0.1 OUTLIER -54.32 -59.17 5.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.407 ' C ' ' O ' ' A' ' 56' ' ' LYS . 15.0 mtp -35.88 -40.95 0.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.402 ' CG1' ' HG3' ' A' ' 60' ' ' MET . 40.1 t -53.98 -71.85 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.139 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 49.78 50.51 18.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.855 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.402 ' HG3' ' CG1' ' A' ' 58' ' ' VAL . 11.2 mtp -78.89 48.82 0.86 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 65.7 t60 -106.34 -0.73 24.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.841 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -117.49 -26.02 6.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.428 ' HH ' ' N ' ' A' ' 79' ' ' LEU . 74.2 m-85 -81.66 157.72 24.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.434 ' CG1' ' HD2' ' A' ' 65' ' ' PRO . 84.2 t -155.34 137.6 10.01 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.624 0.726 . . . . 0.0 111.106 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.434 ' HD2' ' CG1' ' A' ' 64' ' ' VAL . 53.5 Cg_endo -69.8 96.09 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.693 2.262 . . . . 0.0 112.32 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -101.51 154.09 19.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.086 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 18.8 t30 -88.25 -34.26 17.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.877 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 20.7 m -63.37 -178.83 0.28 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.6 tt -101.3 -44.8 5.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.917 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 9.7 mm-40 -43.46 -42.71 4.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -68.24 -43.82 77.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 58.6 mmtt -43.31 -64.07 0.71 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 29.0 mt -59.3 -45.76 90.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 47.9 t -41.95 -50.73 4.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.876 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.414 ' O ' ' N ' ' A' ' 78' ' ' HIS . 93.0 m-20 -63.4 -61.93 2.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.889 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.405 ' C ' ' O ' ' A' ' 75' ' ' ASN . 43.1 m95 -37.73 -54.26 1.22 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.875 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -49.6 -39.0 29.69 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.531 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.414 ' N ' ' O ' ' A' ' 75' ' ' ASN . 3.2 t-160 -73.79 -33.3 64.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.86 0.362 . . . . 0.0 110.849 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.428 ' N ' ' HH ' ' A' ' 63' ' ' TYR . 8.2 tp -72.87 -12.39 60.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.936 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 64.1 t-20 -73.44 -37.74 65.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 27.2 mtt85 -103.39 3.94 35.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 6.8 mmtp -110.95 -22.82 11.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 54.8 t -127.16 -72.83 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.138 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 40.9 mt -41.11 -65.9 0.38 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.935 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 14.1 tmtt? -42.65 -52.26 4.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 21.7 mmt180 -58.38 -34.47 70.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 17.0 mt -92.31 27.1 2.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 50.64 27.58 3.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -106.4 167.8 9.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.856 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 68.2 p -155.16 148.47 24.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.84 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 10.4 t -143.98 131.78 10.77 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.6 0.714 . . . . 0.0 111.14 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.401 ' HG2' ' CG2' ' A' ' 95' ' ' VAL . 53.5 Cg_endo -69.78 158.75 55.86 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.72 2.28 . . . . 0.0 112.332 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -72.91 -12.93 61.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.864 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -82.71 -31.5 28.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.401 ' CG2' ' HG2' ' A' ' 92' ' ' PRO . 21.2 t -78.11 -25.09 14.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.1 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 9.0 mtt -75.87 -49.93 16.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 36.0 mtm180 -51.51 -28.28 13.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 33.0 mttp -78.71 -57.14 3.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.85 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.409 ' CG1' HG13 ' A' ' 106' ' ' VAL . 84.6 mt -45.76 -56.82 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.139 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -60.77 -17.74 50.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.095 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 19.3 mm-40 -99.05 36.2 1.75 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 22.2 m 40.6 45.04 1.91 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.87 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.91 152.64 96.23 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.601 0.715 . . . . 0.0 111.082 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . 0.445 ' O ' ' C ' ' A' ' 105' ' ' GLY . 53.5 Cg_endo -69.84 118.25 5.57 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.696 2.264 . . . . 0.0 112.335 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 104' ' ' PRO . . . 34.38 81.46 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.463 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.409 HG13 ' CG1' ' A' ' 99' ' ' ILE . 24.6 t -129.81 -48.44 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.859 0.361 . . . . 0.0 111.114 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 14.1 p -72.61 -21.67 19.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.131 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.438 ' OE1' ' C ' ' A' ' 108' ' ' GLU . 0.6 OUTLIER -63.64 -44.63 93.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 63.2 mt -57.19 -21.62 34.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 19.7 t -92.04 -20.72 6.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.093 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 89.0 mt -75.03 -46.82 32.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.512 ' N ' ' HD2' ' A' ' 113' ' ' PRO . 2.7 mt -44.61 -58.01 5.88 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.558 0.694 . . . . 0.0 111.129 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.512 ' HD2' ' N ' ' A' ' 112' ' ' ILE . 53.8 Cg_endo -69.76 -27.57 26.31 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.69 2.26 . . . . 0.0 112.388 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 6.8 tp -53.03 -48.43 67.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 21.6 ptt180 -66.58 -40.93 89.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.826 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 -51.77 -33.37 34.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.933 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 120' ' ' GLU . 23.6 mmm180 -82.91 -56.86 3.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.558 HD13 ' CE2' ' A' ' 53' ' ' TYR . 41.2 mt -41.77 -39.51 1.76 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.935 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -77.45 -32.7 54.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 117' ' ' ARG . 1.5 tp10 -62.92 -24.42 67.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.855 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 37.5 mtt-85 -103.5 -27.07 12.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.927 -179.913 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 40.9 mm-40 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.868 0.366 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 25.6 tp -67.49 -36.08 80.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.847 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -63.52 -56.51 15.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.935 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 49.0 mt -43.87 -54.52 5.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.935 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.52 ' CE2' ' HD2' ' A' ' 115' ' ' ARG . 6.2 t90 -39.98 -37.24 0.56 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.946 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 73.3 t -75.53 -42.71 42.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.424 ' OD1' ' C ' ' A' ' 25' ' ' ASP . 0.2 OUTLIER -52.58 -29.39 25.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.855 179.925 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -76.69 -46.23 26.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 93.1 mt . . . . . 0 C--N 1.329 -0.298 0 CA-C-O 121.59 0.71 . . . . 0.0 111.151 179.9 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.847 0.356 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.44 ' O ' ' C ' ' A' ' 41' ' ' SER . 3.8 m-85 -41.76 -43.37 2.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 40' ' ' PHE . 60.4 p -34.74 -41.96 0.14 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.857 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.445 ' O ' ' C ' ' A' ' 43' ' ' GLY . 30.1 t0 -75.71 108.41 8.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.858 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 42' ' ' ASP . . . -34.34 -49.65 0.67 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.451 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 92.5 t -43.02 -53.83 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.904 0.383 . . . . 0.0 111.141 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -48.41 -57.07 6.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.912 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 61.6 t -48.43 -45.88 14.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.097 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -53.73 -38.1 63.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.11 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -60.78 -40.45 92.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 71.3 t -54.97 -25.0 15.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.125 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 24.3 mt -81.42 -40.09 17.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.116 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.441 ' CA ' HG22 ' A' ' 58' ' ' VAL . 15.0 tptm -42.3 -52.3 4.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -44.15 -52.75 7.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.46 ' CE2' HD12 ' A' ' 118' ' ' LEU . 58.1 m-85 -73.27 -63.88 1.09 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 -179.837 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -126.91 122.8 23.43 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.686 0.755 . . . . 0.0 110.863 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -49.53 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.687 2.258 . . . . 0.0 112.351 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.485 ' O ' ' N ' ' A' ' 58' ' ' VAL . 25.1 mmmt -56.04 -54.68 41.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 58.9 mmm -38.37 -26.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.485 ' N ' ' O ' ' A' ' 56' ' ' LYS . 59.6 t -92.25 136.84 23.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.141 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 17.4 mp0 -132.96 94.11 3.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 2.9 mmt -89.93 31.31 0.98 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -104.27 -42.73 5.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.588 ' OD1' ' CD1' ' A' ' 63' ' ' TYR . 11.2 p30 -89.71 -39.33 13.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.588 ' CD1' ' OD1' ' A' ' 62' ' ' ASN . 20.8 m-85 -67.43 148.77 51.13 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 10.9 t -147.2 131.94 8.84 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.628 0.727 . . . . 0.0 111.117 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 126.78 13.68 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.689 2.26 . . . . 0.0 112.351 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.414 ' CB ' ' HG2' ' A' ' 71' ' ' GLN . . . -143.42 174.8 10.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.061 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 46.1 p30 -126.61 20.14 7.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 11.8 m -118.05 139.54 51.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.814 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.433 ' O ' ' C ' ' A' ' 70' ' ' GLN . 4.0 mm? -48.09 -72.9 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.921 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' A' ' 69' ' ' LEU . 5.1 pt20 -34.45 -49.16 0.38 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.917 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.414 ' HG2' ' CB ' ' A' ' 66' ' ' ALA . 11.2 tp60 -59.06 -48.9 79.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 69' ' ' LEU . 17.6 mmtp -56.74 -58.56 7.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 43.4 mt -52.74 -42.13 64.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.89 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 6.4 t -53.36 -49.08 67.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -64.79 -58.23 6.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.94 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.539 ' CZ2' HG21 ' A' ' 99' ' ' ILE . 45.1 m95 -42.93 -51.72 5.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.948 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -44.17 -43.73 7.35 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.469 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 48.6 m170 -66.78 -45.8 77.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.835 0.35 . . . . 0.0 110.884 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.4 tp -58.77 -21.68 56.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.916 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -75.0 -29.07 60.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 35.4 mtm180 -110.02 3.94 20.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.847 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 9.7 mmtp -115.05 -36.11 4.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.416 ' O ' ' C ' ' A' ' 84' ' ' LEU . 55.6 t -108.26 -74.38 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.148 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.488 ' O ' ' N ' ' A' ' 87' ' ' LEU . 61.9 mt -36.84 -58.23 0.77 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.927 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 84' ' ' LEU . 33.2 tptt -36.55 -56.38 0.81 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.812 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 15.4 mmp_? -58.7 -35.66 72.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.488 ' N ' ' O ' ' A' ' 84' ' ' LEU . 22.8 mt -86.71 27.84 0.94 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 38.88 34.75 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -107.4 167.73 9.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 44.0 p -156.18 141.32 17.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 13.1 t -142.4 131.54 12.0 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.647 0.737 . . . . 0.0 111.11 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.461 ' HG2' ' CG2' ' A' ' 95' ' ' VAL . 53.8 Cg_endo -69.79 159.91 51.66 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.684 2.256 . . . . 0.0 112.369 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -63.3 -36.36 83.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.863 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 -55.67 -57.18 13.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.461 ' CG2' ' HG2' ' A' ' 92' ' ' PRO . 71.9 t -57.03 -41.56 77.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.114 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 7.5 mtm -55.92 -47.38 77.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 13.1 mmt85 -47.26 -57.83 4.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 25.8 mttm -53.38 -46.55 69.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.917 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.539 HG21 ' CZ2' ' A' ' 76' ' ' TRP . 72.9 mt -49.77 -55.95 4.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.137 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -59.84 -19.16 49.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.063 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -90.61 26.93 1.86 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.959 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 19.7 p 39.01 49.16 1.55 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -85.5 125.09 70.5 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.599 0.714 . . . . 0.0 111.101 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 135.8 31.47 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.66 2.24 . . . . 0.0 112.39 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 86.96 -29.39 5.09 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.477 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 97.9 t -69.14 -74.27 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.876 0.37 . . . . 0.0 111.154 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 5.4 p -47.9 -23.92 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.096 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -66.06 -40.59 91.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.866 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 21.0 mt -56.02 -20.41 16.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.1 t -97.37 -28.07 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.153 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 23.9 mt -70.8 -49.76 43.01 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.51 ' N ' ' HD2' ' A' ' 113' ' ' PRO . 2.7 mt -44.86 -58.68 5.09 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.638 0.732 . . . . 0.0 111.124 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' A' ' 112' ' ' ILE . 53.7 Cg_endo -69.74 -50.43 0.47 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.696 2.264 . . . . 0.0 112.327 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 8.0 tt -47.09 -51.48 17.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.885 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . 0.52 ' HD2' ' CE2' ' A' ' 23' ' ' TRP . 35.5 ttp180 -59.4 -47.27 86.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -47.2 -33.44 5.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.403 ' O ' ' N ' ' A' ' 120' ' ' GLU . 0.0 OUTLIER -74.79 -51.26 14.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.847 -179.879 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.46 HD12 ' CE2' ' A' ' 53' ' ' TYR . 59.3 mt -40.38 -47.34 2.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.932 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -60.8 -40.06 91.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 117' ' ' ARG . 20.7 tt0 -61.03 -44.32 97.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 7.5 mtt-85 -71.02 -37.2 72.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.941 -179.966 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 48.3 mm-40 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.837 0.351 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.9 tp -68.5 -38.22 80.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -61.43 -30.92 70.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.905 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 14.4 mt -68.41 -55.92 10.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.946 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.493 ' CH2' HG13 ' A' ' 49' ' ' VAL . 5.1 t90 -41.15 -53.88 3.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.423 ' O ' ' N ' ' A' ' 27' ' ' ILE . 75.4 t -67.52 -55.41 17.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.144 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -38.72 -39.9 0.55 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -64.04 -44.67 91.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.423 ' N ' ' O ' ' A' ' 24' ' ' VAL . 25.3 mt . . . . . 0 C--N 1.329 -0.306 0 CA-C-O 121.61 0.719 . . . . 0.0 111.16 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.494 ' N ' ' OD1' ' A' ' 39' ' ' ASP . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.808 0.337 . . . . 0.0 110.853 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.438 ' O ' ' C ' ' A' ' 41' ' ' SER . 14.7 m-85 -37.6 -43.55 0.62 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 40' ' ' PHE . 60.0 p -35.54 -52.8 0.67 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.872 -179.802 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -72.35 125.59 27.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.911 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 44' ' ' VAL . . . -59.67 -44.67 96.69 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.508 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.418 ' C ' ' O ' ' A' ' 43' ' ' GLY . 78.9 t -35.79 -46.25 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.825 0.345 . . . . 0.0 111.1 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 59.5 tp -64.92 -50.19 67.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 96.2 t -47.27 -51.19 6.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.161 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -45.72 -48.79 15.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.095 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -46.0 -40.74 10.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.493 HG13 ' CH2' ' A' ' 23' ' ' TRP . 72.4 t -58.83 -36.76 62.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.152 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 9.8 mt -73.87 -39.26 51.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.151 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.562 ' HZ2' ' N ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -40.14 -54.34 2.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.853 179.859 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.562 ' N ' ' HZ2' ' A' ' 51' ' ' LYS . 62.3 t80 -43.11 -37.86 2.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.924 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 55.5 m-85 -86.85 -39.77 15.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.911 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.41 ' HA ' ' HD2' ' A' ' 55' ' ' PRO . 62.8 m-85 -144.75 104.97 4.55 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.62 0.724 . . . . 0.0 110.875 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 54' ' ' PHE . 53.6 Cg_endo -69.79 -29.43 23.72 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.663 2.242 . . . . 0.0 112.355 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.2 mtpp -71.35 -52.69 17.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.899 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 49.7 mmm -41.43 -52.18 3.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 39.1 t -68.43 129.22 32.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.182 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -132.19 86.03 2.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.484 ' O ' ' N ' ' A' ' 62' ' ' ASN . 9.7 mmt -65.51 -39.43 91.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.401 ' C ' ' O ' ' A' ' 60' ' ' MET . 41.8 m80 -38.02 -27.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.484 ' N ' ' O ' ' A' ' 60' ' ' MET . 26.3 m-80 -103.5 -64.4 1.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -50.73 141.93 12.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.919 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 16.9 t -143.95 133.01 11.35 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.636 0.732 . . . . 0.0 111.114 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 122.88 9.55 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.705 2.27 . . . . 0.0 112.322 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -113.49 171.78 7.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.111 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -123.59 14.35 9.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.95 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 69' ' ' LEU . 52.3 m -122.87 115.98 22.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.827 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.424 ' C ' ' O ' ' A' ' 68' ' ' SER . 38.8 tp -35.89 -59.7 0.57 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.931 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.455 ' HG3' ' N ' ' A' ' 71' ' ' GLN . 5.8 pt20 -41.04 -52.38 3.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.455 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 41.1 tp60 -60.37 -52.72 64.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 10.7 mmmm -42.9 -65.17 0.51 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 18.3 mt -43.73 -44.23 6.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.945 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.8 t -51.21 -56.39 13.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -54.15 -56.67 15.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.888 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.457 ' CZ2' HG21 ' A' ' 99' ' ' ILE . 32.6 m95 -42.87 -42.06 3.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -51.79 -41.94 52.02 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.462 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -68.92 -54.08 17.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.79 0.329 . . . . 0.0 110.847 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.41 ' CD1' HG21 ' A' ' 83' ' ' VAL . 5.7 tp -53.39 -18.09 2.36 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 31.9 t-20 -76.2 -43.66 41.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 70.6 mtp180 -93.67 2.67 56.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 16.3 mmtt -111.33 -30.37 7.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.41 HG21 ' CD1' ' A' ' 79' ' ' LEU . 77.6 t -117.92 -74.4 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.123 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 38.9 mt -38.64 -52.94 1.65 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.1 mtpm? -56.37 -44.2 79.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 26.7 mmt85 -65.34 -20.49 66.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 12.9 mt -105.68 27.54 8.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 47.48 35.48 4.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -114.64 148.35 38.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 90.0 p -136.47 141.05 43.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 10.5 t -138.43 131.81 16.38 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.634 0.73 . . . . 0.0 111.106 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.451 ' HG2' ' CG2' ' A' ' 95' ' ' VAL . 53.6 Cg_endo -69.79 152.88 69.28 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.641 2.228 . . . . 0.0 112.354 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -64.11 -23.81 67.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.853 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -68.55 -34.43 75.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.451 ' CG2' ' HG2' ' A' ' 92' ' ' PRO . 39.6 t -75.67 -41.95 41.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.101 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 8.3 mtm -57.39 -44.38 84.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 32.1 mtm180 -53.92 -46.96 71.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.901 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 32.8 mttm -58.83 -46.73 87.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.457 HG21 ' CZ2' ' A' ' 76' ' ' TRP . 43.9 mt -53.25 -60.22 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.163 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -56.35 -19.24 13.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.059 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 30.8 mm-40 -90.25 21.8 3.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.91 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 13.3 p 42.98 41.96 2.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -91.34 114.31 61.28 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.553 0.692 . . . . 0.0 111.129 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 138.02 36.93 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.64 2.227 . . . . 0.0 112.324 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 97.95 -2.59 60.05 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.474 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 21.1 t -106.33 -66.08 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.896 0.379 . . . . 0.0 111.163 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 7.1 p -49.52 -41.02 15.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.098 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 15.5 mp0 -52.64 -49.74 64.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 34.1 mt -47.74 -20.82 0.31 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.941 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 2.5 t -98.6 -28.59 3.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.126 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 50.8 mt -72.17 -38.47 69.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.517 ' N ' ' HD2' ' A' ' 113' ' ' PRO . 3.5 mt -51.91 -57.93 13.06 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.61 0.719 . . . . 0.0 111.154 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.517 ' HD2' ' N ' ' A' ' 112' ' ' ILE . 53.5 Cg_endo -69.79 -50.17 0.49 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.656 2.238 . . . . 0.0 112.391 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 113' ' ' PRO . 6.7 tp -37.29 -61.75 0.56 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . 0.465 ' CZ ' ' HB2' ' A' ' 23' ' ' TRP . 33.6 ttt180 -53.68 -47.81 70.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 -52.8 -43.92 66.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.906 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 29.8 mmm180 -67.3 -52.67 37.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 21.7 mt -41.01 -54.2 2.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.949 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -42.04 -61.84 1.06 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.871 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -45.91 -37.01 5.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 8.0 mmt180 -77.61 -32.6 53.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.888 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 51.1 tp60 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.883 -179.92 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 81.2 mm-40 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.85 0.357 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.9 tp -63.6 -41.14 98.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.935 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -61.55 -52.79 62.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.926 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 15.8 mt -56.5 -44.58 80.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.966 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 11.7 t90 -46.24 -35.96 5.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 59.1 t -66.53 -55.85 16.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.148 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -49.85 -43.31 48.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.847 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -43.21 -36.74 1.85 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.859 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 8.5 mt . . . . . 0 C--N 1.328 -0.337 0 CA-C-O 121.662 0.744 . . . . 0.0 111.087 179.963 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.853 0.359 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.441 ' O ' ' C ' ' A' ' 41' ' ' SER . 7.4 m-85 -60.31 -38.62 84.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.844 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 40' ' ' PHE . 7.1 t -34.4 -37.7 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.887 -179.783 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.415 ' CG ' ' HE2' ' A' ' 72' ' ' LYS . 0.9 OUTLIER -84.62 97.86 9.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.855 179.941 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 44' ' ' VAL . . . -38.87 -42.89 1.61 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.499 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.425 ' C ' ' O ' ' A' ' 43' ' ' GLY . 54.0 t -35.87 -40.54 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.804 0.335 . . . . 0.0 111.111 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 19.2 tp -73.31 -53.62 10.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 88.8 t -39.36 -43.97 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.167 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.12 -43.29 87.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.106 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -54.36 -50.92 66.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.907 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 97.4 t -46.87 -47.19 8.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.139 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 59.4 mt -52.02 -41.31 31.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.142 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.458 ' HA ' ' CG2' ' A' ' 58' ' ' VAL . 0.9 OUTLIER -38.73 -58.08 1.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.926 179.845 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.419 ' C ' ' O ' ' A' ' 51' ' ' LYS . 21.8 t80 -36.02 -54.57 0.77 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.507 ' CD2' ' HB3' ' A' ' 118' ' ' LEU . 51.9 m-85 -74.68 -59.1 2.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.927 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -135.16 116.84 12.33 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.64 0.733 . . . . 0.0 110.889 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -39.45 6.38 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.657 2.238 . . . . 0.0 112.331 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.9 ptpp? -63.3 -51.43 66.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.912 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.421 ' O ' ' C ' ' A' ' 58' ' ' VAL . 53.5 mmm -49.87 -43.68 49.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.458 ' CG2' ' HA ' ' A' ' 51' ' ' LYS . 55.1 t -34.59 -71.91 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.108 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 45.83 49.63 11.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.454 ' SD ' ' C ' ' A' ' 60' ' ' MET . 2.0 ppp? -83.52 -32.04 26.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.861 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.423 ' C ' ' O ' ' A' ' 60' ' ' MET . 13.8 t-80 -35.82 -60.25 0.54 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.859 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -39.82 -53.56 2.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -57.77 167.27 1.17 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.935 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 93.2 t -142.39 132.91 12.6 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.668 0.746 . . . . 0.0 111.112 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 119.87 6.75 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.661 2.241 . . . . 0.0 112.317 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.436 ' CB ' ' HG3' ' A' ' 71' ' ' GLN . . . -124.77 169.95 11.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.118 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -121.55 28.83 7.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.3 m -125.49 154.15 42.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.837 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 13.9 tp -63.92 -64.45 0.89 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.905 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.45 ' HG3' ' N ' ' A' ' 71' ' ' GLN . 29.2 pt20 -38.25 -48.55 1.3 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.45 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 17.4 mm100 -51.5 -60.61 2.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.415 ' HE2' ' CG ' ' A' ' 42' ' ' ASP . 24.9 mmtp -38.3 -65.87 0.31 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 13.4 mt -45.97 -46.86 16.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.953 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.6 t -49.83 -48.3 50.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 22.0 m-20 -68.39 -59.05 3.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.9 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 41.9 m95 -44.25 -46.41 9.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -54.09 -50.01 57.05 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.53 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 49.2 m-70 -61.14 -46.82 88.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.849 0.357 . . . . 0.0 110.884 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.6 tp -57.43 -23.87 52.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 36.8 t-20 -72.54 -28.15 62.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.846 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 32.1 mmt180 -108.55 1.93 21.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 18.7 mttp -113.99 -35.04 5.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.41 ' O ' ' C ' ' A' ' 84' ' ' LEU . 72.2 t -109.42 -72.27 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.107 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.41 ' C ' ' O ' ' A' ' 83' ' ' VAL . 73.2 mt -37.29 -55.61 1.01 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.937 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 22.9 tttm -44.37 -49.76 9.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.938 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 31.2 mmt180 -60.63 -30.25 69.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 13.1 mt -97.08 28.36 3.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 44.57 28.4 0.32 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -104.62 142.86 33.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 6.3 m -139.24 141.25 37.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.851 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 93.7 t -140.69 133.09 14.35 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.683 0.754 . . . . 0.0 111.104 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.467 ' HG2' ' CG2' ' A' ' 95' ' ' VAL . 53.7 Cg_endo -69.72 146.46 60.49 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 122.69 2.26 . . . . 0.0 112.39 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -50.93 -39.5 54.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.837 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 52.1 m-20 -50.34 -55.05 17.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.855 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.467 ' CG2' ' HG2' ' A' ' 92' ' ' PRO . 85.6 t -58.4 -39.23 73.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.15 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 15.0 mtm -63.41 -46.54 85.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 48.1 mtp180 -50.07 -36.51 29.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 3.5 mtpm? -74.48 -46.36 40.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.918 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 72.9 mt -47.7 -55.33 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.116 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.72 -29.72 64.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.104 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -77.99 9.12 3.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 11.1 m 62.29 45.57 6.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.4 ' CB ' HG23 ' A' ' 106' ' ' VAL . . . -73.52 121.15 84.43 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.625 0.726 . . . . 0.0 111.094 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 104.62 1.34 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.658 2.239 . . . . 0.0 112.357 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 118.38 -57.55 0.54 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.498 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.4 HG23 ' CB ' ' A' ' 103' ' ' ALA . 47.0 t -41.9 -53.71 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.839 0.352 . . . . 0.0 111.08 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 14.8 p -59.46 -45.59 93.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.11 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -55.85 -48.23 75.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.816 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 56.7 mt -50.59 -18.52 0.7 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 24.9 t -100.33 -27.79 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 81.5 mt -73.69 -35.19 65.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.944 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.516 ' N ' ' HD2' ' A' ' 113' ' ' PRO . 3.7 mt -55.11 -57.86 17.75 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.62 0.724 . . . . 0.0 111.136 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.516 ' HD2' ' N ' ' A' ' 112' ' ' ILE . 54.1 Cg_endo -69.76 -37.34 9.31 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.715 2.277 . . . . 0.0 112.354 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 67.4 tp -44.0 -56.53 3.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.938 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 31.7 ttt180 -60.62 -49.05 79.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -46.97 -44.65 20.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 25.8 mmm180 -64.58 -54.97 23.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.851 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.507 ' HB3' ' CD2' ' A' ' 53' ' ' TYR . 27.8 mt -40.27 -41.86 1.41 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -68.24 -44.25 76.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -45.09 -43.02 9.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . 0.407 ' O ' ' C ' ' A' ' 122' ' ' GLN . 30.3 mtp180 -68.06 -42.46 80.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.809 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 121' ' ' ARG . 29.2 tt0 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.89 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 87.6 mm-40 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.81 0.338 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.416 ' CD2' ' HG3' ' A' ' 108' ' ' GLU . 3.6 tp -60.08 -42.52 94.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -57.15 -53.04 62.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.913 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 64.0 mt -53.43 -54.83 31.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.941 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.503 ' CH2' ' HB3' ' A' ' 115' ' ' ARG . 5.5 t90 -39.94 -38.11 0.66 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.438 ' O ' ' C ' ' A' ' 25' ' ' ASP . 84.5 t -58.06 -57.7 9.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.121 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 24' ' ' VAL . 15.5 t0 -34.44 -52.49 0.49 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.852 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -43.46 -56.45 3.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 96.6 mt . . . . . 0 C--N 1.328 -0.339 0 CA-C-O 121.632 0.73 . . . . 0.0 111.135 179.887 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.851 0.358 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.438 ' O ' ' C ' ' A' ' 41' ' ' SER . 11.4 m-85 -79.26 -48.3 14.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.846 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 40' ' ' PHE . 47.8 p -34.3 -38.69 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.901 -179.816 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -78.44 124.62 28.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.835 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -60.41 -37.87 93.86 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.453 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 54.8 t -40.43 -44.23 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.901 0.381 . . . . 0.0 111.146 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 30.6 tp -67.76 -49.39 62.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.406 HG21 ' CH2' ' A' ' 76' ' ' TRP . 81.1 t -48.3 -33.8 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.124 179.832 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.92 -50.12 73.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.122 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -48.62 -47.99 39.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.853 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 86.1 t -48.27 -43.05 11.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.119 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.408 ' O ' ' C ' ' A' ' 51' ' ' LYS . 49.6 mt -63.79 -39.74 86.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.131 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 50' ' ' ILE . 24.1 tptt -36.19 -58.29 0.68 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.911 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.417 ' C ' ' CD1' ' A' ' 52' ' ' PHE . 9.5 t80 -39.36 -46.1 1.56 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.503 ' CG ' ' HB3' ' A' ' 118' ' ' LEU . 90.1 m-85 -86.06 -65.65 0.99 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.92 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 -124.08 105.39 31.77 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.681 0.753 . . . . 0.0 110.869 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -44.37 2.12 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.661 2.241 . . . . 0.0 112.303 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 10.1 ptpp? -56.89 -45.02 82.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.845 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.422 ' O ' ' C ' ' A' ' 58' ' ' VAL . 39.4 mmm -56.64 -43.37 80.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.9 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.422 ' C ' ' O ' ' A' ' 57' ' ' MET . 80.9 t -36.05 -62.41 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.114 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 55.89 45.25 24.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.935 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.408 ' SD ' ' C ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -63.17 -50.41 70.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -44.18 -33.36 1.51 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -67.67 -54.15 21.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.918 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -75.74 165.72 24.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 73.7 t -146.75 130.18 8.22 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.658 0.742 . . . . 0.0 111.083 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 150.84 68.84 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.691 2.26 . . . . 0.0 112.346 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -149.93 177.64 9.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.062 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -96.91 -47.94 5.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.4 t -67.92 160.44 28.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.444 ' O ' ' C ' ' A' ' 70' ' ' GLN . 27.0 mt -75.92 -44.72 38.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.899 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.444 ' C ' ' O ' ' A' ' 69' ' ' LEU . 82.4 mt-30 -34.76 -49.91 0.44 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 47.0 tp60 -65.47 -55.85 15.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 7.6 mmpt? -38.14 -59.62 0.84 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.904 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.456 ' HG ' ' CB ' ' A' ' 100' ' ' ALA . 17.1 mt -55.51 -49.51 72.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.914 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 32.4 t -44.5 -51.75 8.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.878 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -61.89 -53.13 60.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.406 ' CH2' HG21 ' A' ' 46' ' ' VAL . 38.8 m95 -47.6 -50.47 24.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.903 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -49.81 -53.28 22.52 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.48 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.498 ' O ' ' CG ' ' A' ' 82' ' ' LYS . 19.6 m-70 -58.1 -32.3 67.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.802 0.334 . . . . 0.0 110.824 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.2 tp -67.33 -23.77 65.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.946 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 36.0 t-20 -72.77 -29.47 63.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 57.0 mtp180 -109.85 2.58 19.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.835 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.498 ' CG ' ' O ' ' A' ' 78' ' ' HIS . 5.2 mmpt? -114.01 -28.71 7.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.907 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.444 ' O ' ' C ' ' A' ' 84' ' ' LEU . 60.7 t -123.0 -70.01 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.106 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.444 ' C ' ' O ' ' A' ' 83' ' ' VAL . 45.5 mt -34.56 -61.67 0.38 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.954 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 56.9 tttt -41.22 -55.41 2.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.94 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 16.9 mmt180 -48.83 -35.02 13.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 10.3 mt -98.2 31.31 2.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 7.1 m120 40.15 36.65 0.33 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.879 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -105.49 139.19 40.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 17.1 m -130.3 139.23 50.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.841 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 93.5 t -143.52 128.08 9.55 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.626 0.727 . . . . 0.0 111.124 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.464 ' HG2' ' CG2' ' A' ' 95' ' ' VAL . 53.0 Cg_endo -69.81 139.72 40.73 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.726 2.284 . . . . 0.0 112.308 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -42.22 -41.49 2.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -48.0 -54.01 14.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.882 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.464 ' CG2' ' HG2' ' A' ' 92' ' ' PRO . 91.3 t -56.21 -43.54 76.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.168 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 5.8 mtt -58.08 -46.0 86.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 44.6 mtm180 -48.1 -46.81 34.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.836 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 101' ' ' GLN . 47.4 mttm -61.2 -57.7 11.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.872 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 72.3 mt -41.14 -57.34 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.119 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.456 ' CB ' ' HG ' ' A' ' 73' ' ' LEU . . . -55.08 -28.01 49.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.084 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 98' ' ' LYS . 5.2 mm-40 -85.65 32.41 0.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . 0.435 ' C ' ' O ' ' A' ' 101' ' ' GLN . 29.3 p 35.35 50.26 0.53 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -89.73 119.9 69.47 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.551 0.691 . . . . 0.0 111.087 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 139.36 39.99 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.723 2.282 . . . . 0.0 112.337 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 88.3 -32.98 4.21 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.444 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 57.8 t -63.06 -64.3 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.849 0.357 . . . . 0.0 111.182 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 9.6 p -56.8 -32.21 37.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.096 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.416 ' HG3' ' CD2' ' A' ' 20' ' ' LEU . 8.4 mp0 -56.82 -46.37 81.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 16.7 mt -49.81 -29.12 7.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.953 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 90.3 t -94.87 -24.6 4.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.139 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 67.7 mt -69.61 -41.17 76.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.524 ' N ' ' HD2' ' A' ' 113' ' ' PRO . 4.3 mt -52.61 -57.6 15.13 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.64 0.733 . . . . 0.0 111.132 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.524 ' HD2' ' N ' ' A' ' 112' ' ' ILE . 53.9 Cg_endo -69.8 -24.47 29.48 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.678 2.252 . . . . 0.0 112.362 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 14.1 tp -55.01 -70.76 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . 0.503 ' HB3' ' CH2' ' A' ' 23' ' ' TRP . 12.0 ptt85 -46.4 -48.55 18.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 36.3 mm-40 -44.07 -53.08 6.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.907 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -63.87 -44.96 91.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.503 ' HB3' ' CG ' ' A' ' 53' ' ' TYR . 79.5 mt -49.33 -55.33 13.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -68.3 -40.99 81.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -47.3 -49.65 23.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 41.7 mtp85 -70.66 -46.23 63.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.842 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.951 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 61.2 mm-40 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.815 0.34 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.411 ' CD2' ' HG3' ' A' ' 108' ' ' GLU . 4.2 tp -64.89 -52.58 55.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.926 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -44.52 -39.44 4.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.948 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 33.6 mt -63.69 -50.55 68.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.907 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 17.0 t90 -55.49 -62.04 1.94 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.958 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 91.8 t -44.0 -48.27 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.15 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -45.87 -51.69 12.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.845 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -48.36 -54.11 15.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 86.6 mt . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 121.603 0.716 . . . . 0.0 111.148 179.881 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.0 t0 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.837 0.351 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.449 ' O ' ' C ' ' A' ' 41' ' ' SER . 12.0 m-85 -60.23 -44.91 94.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.449 ' C ' ' O ' ' A' ' 40' ' ' PHE . 11.8 t -34.41 -39.49 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.445 ' O ' ' C ' ' A' ' 43' ' ' GLY . 7.8 m-20 -79.36 88.47 4.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.845 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 42' ' ' ASP . . . -34.18 -43.72 0.35 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.515 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.406 ' C ' ' O ' ' A' ' 43' ' ' GLY . 86.2 t -36.83 -48.23 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.82 0.343 . . . . 0.0 111.076 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.0 tp -67.76 -47.95 67.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.901 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 87.3 t -39.83 -54.49 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.129 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -40.67 -45.93 2.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.127 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -50.58 -47.93 57.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.852 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 84.3 t -46.22 -55.48 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.145 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.448 ' CD1' HG11 ' A' ' 83' ' ' VAL . 42.4 mt -47.84 -43.71 10.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.152 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.46 ' N ' HG22 ' A' ' 58' ' ' VAL . 0.1 OUTLIER -36.73 -59.91 0.65 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 179.851 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.402 ' C ' ' O ' ' A' ' 51' ' ' LYS . 24.7 t80 -36.94 -41.97 0.37 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.847 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -82.93 -59.2 2.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.933 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.407 ' CZ ' ' HB3' ' A' ' 121' ' ' ARG . 47.0 m-85 -131.09 114.59 16.29 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.634 0.73 . . . . 0.0 110.91 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -50.6 0.46 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.696 2.264 . . . . 0.0 112.357 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 57' ' ' MET . 51.4 mttp -54.65 -61.72 2.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.429 ' HE1' ' CB ' ' A' ' 86' ' ' ARG . 39.3 mmm -36.09 -44.34 0.38 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.926 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.46 HG22 ' N ' ' A' ' 51' ' ' LYS . 91.5 t -72.58 102.26 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.116 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -104.27 55.96 0.72 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 79.1 mmm -57.62 -174.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 12.9 t-80 71.78 25.01 3.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.874 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.401 ' OD1' ' C ' ' A' ' 62' ' ' ASN . 0.9 OUTLIER -133.1 -38.17 0.97 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 -179.924 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.465 ' CE2' HD13 ' A' ' 79' ' ' LEU . 14.2 m-85 -69.4 173.63 5.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 71.7 t -137.57 127.12 15.23 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.63 0.729 . . . . 0.0 111.147 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 155.89 64.93 Favored 'Trans proline' 0 N--CA 1.465 -0.159 0 C-N-CA 122.749 2.299 . . . . 0.0 112.362 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -165.49 179.61 6.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.1 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -129.2 -40.44 1.47 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 34.0 m -53.23 177.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.847 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 17.3 tp -89.08 -58.07 2.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.921 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -40.31 -46.24 2.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.419 ' O ' ' C ' ' A' ' 72' ' ' LYS . 34.9 tp60 -62.55 -59.48 4.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -36.07 -67.66 0.16 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 14.4 mt -41.61 -42.35 2.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.902 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.4 t -53.19 -50.85 63.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.84 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -60.96 -58.94 6.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.439 ' CZ2' HG22 ' A' ' 99' ' ' ILE . 33.3 m95 -48.81 -52.42 24.14 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -47.73 -46.95 24.74 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.455 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 29.5 m170 -65.83 -56.17 13.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.82 0.343 . . . . 0.0 110.85 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.465 HD13 ' CE2' ' A' ' 63' ' ' TYR . 2.1 tp -52.08 -17.19 0.96 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.92 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 29.7 t30 -74.19 -41.2 61.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 27.4 mtm180 -106.21 -3.87 20.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 18.9 mmmt -99.34 -37.79 9.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.448 HG11 ' CD1' ' A' ' 50' ' ' ILE . 64.0 t -113.07 -75.19 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.136 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.489 ' O ' ' N ' ' A' ' 87' ' ' LEU . 83.1 mt -37.02 -48.26 0.77 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.948 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 84' ' ' LEU . 0.2 OUTLIER -37.03 -50.93 0.92 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.926 179.814 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.429 ' CB ' ' HE1' ' A' ' 57' ' ' MET . 13.4 mmt180 -59.32 -37.96 79.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.489 ' N ' ' O ' ' A' ' 84' ' ' LEU . 20.4 mt -84.32 30.14 0.55 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.914 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 8.9 m120 37.03 38.64 0.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.401 ' CE1' HG12 ' A' ' 110' ' ' VAL . 4.9 t80 -114.8 124.83 52.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 46.3 m -120.38 141.67 49.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.844 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 95.1 t -136.57 128.48 17.08 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.647 0.737 . . . . 0.0 111.14 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 143.44 50.88 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.7 2.266 . . . . 0.0 112.378 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -43.62 -33.83 1.29 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.91 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -53.06 -60.64 3.03 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.817 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 76.1 t -61.03 -39.89 83.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.169 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 10.2 mtm -57.69 -47.83 81.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.87 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 83.6 mtt180 -49.57 -61.16 2.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' A' ' 101' ' ' GLN . 30.9 mttm -48.39 -57.24 6.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.439 HG22 ' CZ2' ' A' ' 76' ' ' TRP . 94.6 mt -41.43 -58.74 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.4 -26.17 60.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.123 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . 0.446 ' O ' ' C ' ' A' ' 102' ' ' CYS . 26.8 mt-30 -87.28 31.37 0.73 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . 0.446 ' C ' ' O ' ' A' ' 101' ' ' GLN . 22.0 t 34.43 41.82 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.418 ' HB1' ' CG2' ' A' ' 106' ' ' VAL . . . -71.2 143.99 89.12 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.523 0.677 . . . . 0.0 111.128 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 140.98 44.07 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.666 2.244 . . . . 0.0 112.358 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 44.07 60.52 3.47 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.502 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.418 ' CG2' ' HB1' ' A' ' 103' ' ' ALA . 44.0 t -132.55 -64.43 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.89 0.376 . . . . 0.0 111.139 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 8.8 p -58.69 -32.86 47.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.132 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.411 ' HG3' ' CD2' ' A' ' 20' ' ' LEU . 15.1 mp0 -55.02 -45.8 75.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 11.1 mt -44.2 -30.89 0.85 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.912 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.401 HG12 ' CE1' ' A' ' 89' ' ' PHE . 48.6 t -92.88 -28.37 4.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.16 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 90.7 mt -70.71 -36.39 73.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.503 ' N ' ' HD2' ' A' ' 113' ' ' PRO . 3.7 mt -57.25 -58.0 21.03 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.629 0.728 . . . . 0.0 111.153 179.821 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.503 ' HD2' ' N ' ' A' ' 112' ' ' ILE . 54.2 Cg_endo -69.76 -21.87 32.87 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.678 2.252 . . . . 0.0 112.348 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 17.7 tp -51.36 -69.87 0.1 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.912 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 23.7 ptt180 -47.47 -48.0 27.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -45.56 -61.12 1.82 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 15.2 mmp_? -57.79 -50.72 72.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 34.5 mt -47.56 -41.76 22.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.947 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -54.78 -49.01 71.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -63.21 -35.59 80.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . 0.407 ' HB3' ' CZ ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -64.15 -29.79 70.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.832 -179.935 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 18.8 tp60 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -179.914 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.834 0.35 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.0 tp -60.93 -54.99 38.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.935 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -47.6 -40.2 18.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.417 ' O ' ' ND2' ' A' ' 26' ' ' ASN . 6.5 mt -66.78 -56.6 9.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.934 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.7 ' CD1' ' CZ ' ' A' ' 115' ' ' ARG . 7.5 t90 -40.6 -41.51 1.49 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 44.0 t -65.24 -47.14 88.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.184 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.412 ' C ' ' OD1' ' A' ' 25' ' ' ASP . 0.6 OUTLIER -54.61 -30.78 55.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.872 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.417 ' ND2' ' O ' ' A' ' 22' ' ' LEU . 29.2 m-80 -62.77 -53.58 52.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 59.9 mt . . . . . 0 C--N 1.329 -0.299 0 CA-C-O 121.658 0.742 . . . . 0.0 111.167 179.887 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.8 t70 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.841 0.353 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -76.06 -40.31 53.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.4 m -43.68 -24.29 0.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.82 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.26 94.15 6.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -41.43 -34.43 1.07 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.49 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 62.5 t -53.43 -51.95 36.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.882 0.372 . . . . 0.0 111.158 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 34.7 tp -59.55 -38.78 81.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.91 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 88.7 t -56.7 -30.73 33.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.123 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.431 ' CB ' ' CE ' ' A' ' 60' ' ' MET . . . -64.69 -40.79 95.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.131 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 91.5 mt-10 -55.45 -46.59 76.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 24.5 t -50.48 -34.35 11.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.132 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 48.5 mt -74.6 -32.69 30.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.118 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 24.4 tptt -47.89 -46.36 31.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.904 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -52.89 -33.33 49.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.506 ' CZ ' HD11 ' A' ' 118' ' ' LEU . 80.7 m-85 -88.41 -69.63 0.69 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.936 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -121.62 117.49 30.07 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.627 0.727 . . . . 0.0 110.879 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -13.6 34.81 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.684 2.256 . . . . 0.0 112.323 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.5 ptmt -94.75 -48.47 6.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 77.7 mmm -46.91 -35.79 6.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 95.0 t -50.75 -63.34 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.116 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 59.33 49.79 8.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.431 ' CE ' ' CB ' ' A' ' 47' ' ' ALA . 7.3 mmt -84.17 61.29 6.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.878 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 17.4 m80 -119.5 -42.83 2.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.935 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -87.47 -52.05 5.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 48.9 m-85 -44.83 147.58 0.63 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 76.0 t -144.39 129.89 9.63 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.623 0.725 . . . . 0.0 111.116 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 107.84 1.94 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.696 2.264 . . . . 0.0 112.351 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -98.25 165.98 11.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.091 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 70.4 m-20 -100.17 -38.26 8.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.0 t -66.49 -176.24 0.44 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.444 ' O ' ' C ' ' A' ' 70' ' ' GLN . 1.5 tm? -92.88 -69.28 0.75 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.939 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.444 ' C ' ' O ' ' A' ' 69' ' ' LEU . 2.1 tm0? -34.49 -55.41 0.53 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 5.5 tm0? -42.77 -63.76 0.73 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -44.43 -55.3 5.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 15.5 mt -45.06 -42.16 8.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.928 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 9.8 t -55.75 -58.04 9.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.835 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -47.05 -56.97 5.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 45.5 m95 -43.59 -56.44 3.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -44.99 -37.97 5.75 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.512 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.482 ' CE1' ' HE2' ' A' ' 82' ' ' LYS . 3.2 t-160 -73.94 -40.95 62.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.804 0.335 . . . . 0.0 110.836 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 5.5 tp -63.75 -15.52 58.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.466 ' HA ' ' CD1' ' A' ' 84' ' ' LEU . 57.7 t-20 -81.91 -27.93 33.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 56.2 mtp180 -109.58 -5.37 15.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.482 ' HE2' ' CE1' ' A' ' 78' ' ' HIS . 15.2 mmtm -106.3 -37.46 6.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.426 ' O ' ' C ' ' A' ' 84' ' ' LEU . 87.4 t -112.02 -74.97 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.146 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.466 ' CD1' ' HA ' ' A' ' 80' ' ' ASN . 89.1 mt -34.87 -51.5 0.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -43.23 -56.25 3.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 179.816 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 14.6 mmm180 -57.34 -25.07 58.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.812 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.477 ' O ' ' CD ' ' A' ' 117' ' ' ARG . 15.9 mt -99.09 22.5 10.28 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.887 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 14.0 m-20 46.24 33.53 1.84 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.887 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -111.56 138.85 47.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.869 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.7 t -134.69 146.79 49.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 6.7 t -143.7 132.74 11.41 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.619 0.723 . . . . 0.0 111.134 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 -175.16 1.06 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.687 2.258 . . . . 0.0 112.365 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -83.31 -51.38 7.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -41.61 -41.34 2.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 42.9 t -68.26 -52.54 36.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.119 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 4.7 mtt -50.28 -41.56 50.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.93 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 54.5 mtp180 -58.69 -39.14 79.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 78.7 mttt -69.2 -53.62 19.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 66.3 mt -43.93 -63.93 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.099 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -56.82 -17.51 9.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.069 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 18.9 mm-40 -91.68 13.21 18.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.909 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 24.4 m 58.28 49.89 10.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.907 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -94.25 117.58 67.09 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.539 0.685 . . . . 0.0 111.07 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 143.61 51.15 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.635 2.224 . . . . 0.0 112.344 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 82.62 -13.88 39.26 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.487 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 90.9 t -83.99 -73.27 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.869 0.366 . . . . 0.0 111.159 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 9.5 p -50.87 -39.58 19.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.155 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.458 ' O ' ' N ' ' A' ' 111' ' ' LEU . 8.0 mp0 -52.5 -48.09 66.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 33.4 mt -45.37 -24.16 0.27 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.934 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 74.9 t -91.95 -28.16 4.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.104 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 108' ' ' GLU . 95.2 mt -71.58 -40.59 69.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.526 ' N ' ' HD2' ' A' ' 113' ' ' PRO . 3.5 mt -50.77 -57.81 12.22 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.63 0.728 . . . . 0.0 111.128 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.526 ' HD2' ' N ' ' A' ' 112' ' ' ILE . 54.1 Cg_endo -69.77 -40.18 5.61 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.647 2.231 . . . . 0.0 112.342 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 25.3 tp -39.59 -54.25 2.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . 0.7 ' CZ ' ' CD1' ' A' ' 23' ' ' TRP . 5.1 ttm180 -58.17 -59.36 5.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.935 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 115' ' ' ARG . 36.5 mt-30 -37.67 -51.57 1.23 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.477 ' CD ' ' O ' ' A' ' 87' ' ' LEU . 9.0 mtt-85 -64.04 -50.69 67.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.842 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.506 HD11 ' CZ ' ' A' ' 53' ' ' TYR . 49.7 mt -51.1 -37.58 46.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.937 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -69.46 -32.92 72.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.946 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -77.63 -39.16 46.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 26.2 mmt-85 -61.81 -43.07 99.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 10.9 tp60 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 -179.919 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 29.4 mm100 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.806 0.336 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.4 tp -70.95 -43.44 68.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -62.98 -21.86 66.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 81.2 mt -81.5 -34.56 31.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.94 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 20.5 t90 -58.73 -46.46 87.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.944 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 67.5 t -64.48 -27.34 42.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.106 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -47.75 -54.65 11.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.85 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -44.05 -33.94 1.61 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.884 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.1 mt . . . . . 0 C--N 1.328 -0.336 0 CA-C-O 121.637 0.732 . . . . 0.0 111.157 179.885 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 40' ' ' PHE . 17.0 t0 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.815 0.34 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.424 ' O ' ' C ' ' A' ' 41' ' ' SER . 9.5 m-85 -36.03 -40.36 0.2 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.859 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 40' ' ' PHE . 35.7 m -36.44 -60.18 0.6 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.836 -179.772 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -52.54 143.18 16.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -85.78 43.73 3.28 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.487 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 60.8 t -120.17 -66.38 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.862 0.363 . . . . 0.0 111.128 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 10.4 tp -52.75 -36.37 57.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 79.2 t -52.72 -39.53 31.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.111 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.51 -34.69 69.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.142 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -58.31 -47.51 83.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 84.9 t -48.15 -46.08 13.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.116 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.406 ' CD1' HG13 ' A' ' 83' ' ' VAL . 37.6 mt -62.7 -38.71 82.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.094 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.407 ' C ' ' HD2' ' A' ' 51' ' ' LYS . 0.5 OUTLIER -42.58 -54.61 3.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 179.86 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -39.32 -42.87 1.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.85 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 99.4 m-85 -86.98 -64.59 1.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.904 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -112.93 89.17 13.08 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.666 0.746 . . . . 0.0 110.916 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -2.53 10.32 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.729 2.286 . . . . 0.0 112.351 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 16.9 pttm -91.24 -52.94 4.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.937 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 18.3 mtm -47.9 -53.84 14.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.919 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 79.4 t -43.26 127.51 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.152 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -132.79 52.74 2.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.437 ' HE2' ' CB ' ' A' ' 63' ' ' TYR . 14.4 mmt -54.13 -14.98 1.25 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.835 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 60.5 m80 -44.83 -48.08 11.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.816 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.438 ' OD1' ' N ' ' A' ' 63' ' ' TYR . 8.0 p30 -88.5 -51.24 5.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.438 ' N ' ' OD1' ' A' ' 62' ' ' ASN . 71.4 m-85 -52.47 124.76 14.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.46 ' CG1' ' HD2' ' A' ' 65' ' ' PRO . 84.6 t -132.79 138.43 31.92 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.63 0.728 . . . . 0.0 111.15 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.46 ' HD2' ' CG1' ' A' ' 64' ' ' VAL . 53.9 Cg_endo -69.77 127.69 14.95 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.722 2.281 . . . . 0.0 112.311 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.413 ' CB ' ' HG2' ' A' ' 71' ' ' GLN . . . -129.96 173.93 10.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.06 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 58.7 m-20 -120.4 42.13 3.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 73.4 m -147.2 130.45 16.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 53.3 mt -48.55 -47.08 39.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.93 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -43.02 -51.76 5.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.413 ' HG2' ' CB ' ' A' ' 66' ' ' ALA . 55.4 tp60 -66.72 -51.25 58.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 42.8 mmtt -40.86 -61.94 0.89 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 19.1 mt -57.45 -50.13 74.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.937 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 34.0 t -42.45 -56.09 3.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 -54.21 -53.29 55.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 45.0 m95 -43.26 -62.86 0.93 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.892 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -41.36 -42.58 3.4 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.439 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 5.7 m170 -70.59 -40.46 73.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.809 0.338 . . . . 0.0 110.796 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 7.4 tp -69.29 -12.14 61.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.922 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 31.5 t-20 -80.18 -33.08 38.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 44.8 mtt85 -105.06 -1.36 25.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 16.3 mttp -108.45 -30.06 8.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.406 HG13 ' CD1' ' A' ' 50' ' ' ILE . 67.7 t -115.22 -73.35 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.138 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 35.8 mt -41.96 -54.88 3.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 18.2 tttt -42.16 -42.68 3.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 21.4 mmt-85 -69.22 -36.16 76.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 16.6 mt -85.78 29.48 0.71 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.935 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 6.8 m120 42.74 25.87 0.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -100.64 174.84 5.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 30.4 m -165.55 129.97 2.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 15.8 t -128.15 132.99 24.66 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.61 0.719 . . . . 0.0 111.101 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 165.36 31.21 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.684 2.256 . . . . 0.0 112.362 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -77.7 -19.37 55.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.911 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -72.99 -32.93 65.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.849 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 18.7 t -80.82 -29.06 11.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.133 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 10.2 mtt -69.36 -49.7 53.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.889 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.497 ' CG ' ' N ' ' A' ' 98' ' ' LYS . 15.5 ptt85 -47.35 -47.91 25.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.497 ' N ' ' CG ' ' A' ' 97' ' ' ARG . 32.1 mttm -55.84 -52.16 65.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 54.5 mt -50.72 -55.94 5.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.132 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.85 -24.8 59.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.121 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 38.0 mm-40 -82.78 6.69 17.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.942 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 4.0 t 63.59 50.44 2.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -98.66 119.53 61.08 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.59 0.709 . . . . 0.0 111.15 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 131.42 21.23 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.676 2.251 . . . . 0.0 112.353 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 109.71 -63.88 0.27 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.49 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.5 t -43.17 -58.57 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.872 0.368 . . . . 0.0 111.149 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 7.3 p -50.68 -50.26 23.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.144 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -51.72 -48.71 63.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.943 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 95.3 mt -51.0 -20.19 1.28 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.896 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 4.2 t -93.29 -26.7 4.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.116 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 91.1 mt -74.17 -37.38 64.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.521 ' N ' ' HD2' ' A' ' 113' ' ' PRO . 3.8 mt -55.63 -57.99 18.11 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.631 0.729 . . . . 0.0 111.085 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.521 ' HD2' ' N ' ' A' ' 112' ' ' ILE . 53.5 Cg_endo -69.75 -43.0 2.92 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.68 2.253 . . . . 0.0 112.316 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 4.6 tp -43.72 -50.49 7.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . 0.417 ' C ' ' HD3' ' A' ' 115' ' ' ARG . 1.1 tmt_? -63.41 -44.62 94.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -53.76 -28.05 32.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -81.7 -57.6 3.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.863 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 21.2 mt -43.21 -45.61 5.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.958 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -61.94 -46.23 90.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -53.25 -50.13 65.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -59.49 -37.7 78.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 -179.949 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.7 t -169.21 164.12 10.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.872 0.368 . . . . 0.0 110.856 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.0 m -67.75 93.81 0.41 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.84 143.32 14.52 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.471 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 m -158.86 122.04 3.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.872 0.367 . . . . 0.0 110.895 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.3 m -90.46 129.13 36.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.85 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 73.1 152.14 1.84 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.489 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 37.7 mtm -92.05 121.14 33.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.78 0.324 . . . . 0.0 110.854 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -75.05 113.8 12.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.11 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 86.9 p -64.38 -44.01 92.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.84 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 25.2 p -108.41 173.68 6.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 99.6 t -93.21 129.45 43.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.091 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 -94.42 174.59 7.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -67.78 -26.02 65.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -66.76 -42.13 86.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -46.49 -44.61 17.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.051 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 33.6 mt -51.75 -58.4 6.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 8.3 t-160 -49.42 -54.09 19.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -49.17 -37.48 22.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.457 ' CD2' ' HG2' ' A' ' 108' ' ' GLU . 7.0 tp -77.33 -29.39 53.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 8.5 m-30 -72.82 -33.96 66.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.2 mt -78.78 -43.51 25.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.959 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.559 ' CZ3' HG22 ' A' ' 24' ' ' VAL . 11.0 t90 -46.21 -47.88 17.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.559 HG22 ' CZ3' ' A' ' 23' ' ' TRP . 63.4 t -56.52 -59.77 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.127 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -47.53 -46.25 27.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.873 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -47.29 -49.23 24.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.852 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 60.5 mt -65.76 131.97 94.77 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.578 0.704 . . . . 0.0 111.14 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 94.64 0.54 Allowed 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.683 2.256 . . . . 0.0 112.276 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 14.8 mt -110.33 131.66 54.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.907 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.9 p -69.48 72.91 0.34 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.855 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 29.7 ptt180 -143.35 143.84 25.8 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.597 0.713 . . . . 0.0 110.842 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 -165.82 0.17 Allowed 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.722 2.282 . . . . 0.0 112.364 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.43 110.75 21.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.874 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 26.7 ptt180 -171.53 153.27 3.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.846 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -44.57 148.26 0.51 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.924 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.0 pp -89.12 -23.08 22.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.6 t -79.21 -23.89 43.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 7.8 mtm105 -88.56 -25.61 22.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.901 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -84.68 -60.9 1.92 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.535 ' CE1' HD12 ' A' ' 45' ' ' LEU . 5.8 m-85 -39.8 -43.54 1.45 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.1 t -41.6 -43.67 2.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.928 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.496 ' CG ' ' N ' ' A' ' 43' ' ' GLY . 0.4 OUTLIER -49.03 -52.22 26.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.845 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.496 ' N ' ' CG ' ' A' ' 42' ' ' ASP . . . 114.22 -47.74 1.01 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.462 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.4 ' N ' ' OD2' ' A' ' 42' ' ' ASP . 61.8 t -56.06 -20.34 9.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.821 0.344 . . . . 0.0 111.103 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.535 HD12 ' CE1' ' A' ' 40' ' ' PHE . 0.7 OUTLIER -74.05 -32.7 63.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 37.6 t -65.57 -41.88 91.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.104 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.18 -27.74 68.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.133 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -69.97 -48.91 56.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.864 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 51.2 t -49.1 -41.87 14.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.123 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.403 ' O ' ' C ' ' A' ' 51' ' ' LYS . 28.8 mt -66.21 -45.23 90.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.13 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 50' ' ' ILE . 19.1 tptp -37.95 -40.82 0.5 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.938 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -58.47 -52.58 65.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 -73.97 -55.78 5.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.954 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -127.2 93.15 42.1 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.64 0.733 . . . . 0.0 110.903 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -36.54 10.5 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.726 2.284 . . . . 0.0 112.35 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.9 ptmm? -60.99 -49.74 76.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 19.4 mmm -48.52 -52.51 22.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 41.5 t -67.16 147.31 12.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.129 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -118.91 -41.5 2.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 22.2 mmt 48.5 46.51 20.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.909 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 25.6 t-80 -126.66 -30.02 2.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 28.6 m-80 -94.72 -50.61 5.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -58.51 139.78 55.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 89.1 t -134.53 131.16 20.23 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.641 0.734 . . . . 0.0 111.139 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 122.01 8.7 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.686 2.257 . . . . 0.0 112.36 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -133.72 178.07 7.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.089 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 26.0 p30 -126.38 38.88 4.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.8 t -139.2 129.99 26.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 31.6 tp -45.57 -48.97 14.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.932 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -41.43 -58.05 2.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.945 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 17.1 mm100 -66.4 -44.65 82.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 20.1 mmtp -44.6 -64.2 0.74 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 15.4 mt -56.43 -47.33 79.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.915 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.9 t -51.52 -35.42 40.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -74.22 -49.39 23.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.889 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.451 ' CZ2' HG22 ' A' ' 99' ' ' ILE . 38.7 m95 -56.81 -48.59 77.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.936 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -43.85 -50.81 7.22 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.516 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -64.94 -49.26 71.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.812 0.339 . . . . 0.0 110.845 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.7 tp -53.92 -15.82 1.55 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 36.6 t-20 -84.3 -28.7 26.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 38.1 mtm180 -110.72 4.3 19.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.885 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 41.9 mmtt -118.32 -34.54 4.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 72.2 t -111.06 -67.45 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.151 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 87' ' ' LEU . 85.4 mt -44.06 -57.13 3.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.957 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 84' ' ' LEU . 52.5 tttt -37.65 -58.07 0.92 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.906 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -50.84 -36.52 37.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 84' ' ' LEU . 8.8 mt -90.29 29.02 1.31 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.898 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 47.3 t30 40.82 25.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.9 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.44 ' N ' ' O ' ' A' ' 87' ' ' LEU . 14.9 t80 -98.78 132.91 43.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 46.1 m -129.84 147.87 51.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.881 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.415 ' CG1' ' HD2' ' A' ' 92' ' ' PRO . 94.0 t -152.12 137.54 11.09 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.618 0.723 . . . . 0.0 111.141 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.459 ' HG2' ' CG2' ' A' ' 95' ' ' VAL . 54.3 Cg_endo -69.73 161.3 46.44 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.739 2.293 . . . . 0.0 112.326 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -65.61 -43.45 89.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -48.14 -41.87 27.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.459 ' CG2' ' HG2' ' A' ' 92' ' ' PRO . 69.6 t -69.37 -41.85 80.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.144 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 11.9 mtm -60.08 -52.13 66.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.882 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 65.1 mtt-85 -41.2 -45.71 2.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.842 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 45.6 mttt -65.78 -44.98 84.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.922 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.451 HG22 ' CZ2' ' A' ' 76' ' ' TRP . 82.7 mt -52.52 -59.18 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.134 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -55.6 -26.4 43.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.109 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 35.1 mm-40 -85.24 25.05 1.04 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 42.6 t 42.3 53.49 4.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -86.46 128.29 57.6 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.612 0.72 . . . . 0.0 111.103 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 128.12 15.58 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.71 2.273 . . . . 0.0 112.351 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 90.45 -38.43 3.22 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.504 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 58.1 t -58.01 -68.3 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.88 0.371 . . . . 0.0 111.155 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 2.1 p -57.75 -31.67 40.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.11 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.457 ' HG2' ' CD2' ' A' ' 20' ' ' LEU . 1.6 tm-20 -64.62 -37.61 88.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 38.1 mt -58.53 -13.94 6.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 53.6 t -104.85 -24.18 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.123 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 81.7 mt -69.73 -41.32 75.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.948 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.519 ' N ' ' HD2' ' A' ' 113' ' ' PRO . 3.8 mt -55.62 -57.85 18.84 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.637 0.732 . . . . 0.0 111.157 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.519 ' HD2' ' N ' ' A' ' 112' ' ' ILE . 53.8 Cg_endo -69.71 -32.24 19.17 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.713 2.275 . . . . 0.0 112.353 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 13.2 tp -51.87 -50.4 61.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.977 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.494 ' NE ' ' OE2' ' A' ' 119' ' ' GLU . 0.0 OUTLIER -63.66 -44.76 92.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.91 179.895 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -55.13 -35.47 64.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.9 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 120' ' ' GLU . 47.5 mmt-85 -69.76 -57.86 4.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 22.0 mt -37.6 -53.64 1.2 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.93 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.494 ' OE2' ' NE ' ' A' ' 115' ' ' ARG . 45.7 mt-10 -54.87 -39.91 69.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 117' ' ' ARG . 14.3 tt0 -51.88 -33.13 35.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.891 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 9.3 mmp_? -77.81 -36.27 50.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.886 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 11.6 tm0? -54.81 -55.25 32.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.461 ' CG ' ' N ' ' A' ' 124' ' ' ARG . 1.1 ptm85 -58.92 -48.01 83.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.871 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . 0.461 ' N ' ' CG ' ' A' ' 123' ' ' ARG . 7.6 mmm180 -40.77 129.08 2.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -83.13 76.01 9.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 1.1 mmmm -81.17 133.45 35.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.931 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.521 -0.231 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.5 t -112.26 124.68 52.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.89 0.376 . . . . 0.0 110.827 -179.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.7 m -94.48 101.09 12.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.864 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.93 121.13 0.72 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.528 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.9 m -154.61 168.12 27.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.864 0.364 . . . . 0.0 110.884 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.6 p -98.27 -46.65 5.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.72 79.35 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.481 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 32.7 mtt 52.17 44.15 29.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.768 0.318 . . . . 0.0 110.9 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -115.9 93.51 4.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.098 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 10.4 t -163.01 166.91 23.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.86 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 37.3 m -92.49 163.25 13.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.837 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.44 ' O ' ' CG1' ' A' ' 12' ' ' VAL . 39.7 t -109.54 35.78 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.098 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -52.8 174.27 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -55.01 -16.26 2.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -76.56 -42.16 43.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.87 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -49.44 -40.67 37.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.154 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 25.7 mt -50.79 -56.29 12.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.472 ' O ' ' N ' ' A' ' 21' ' ' TYR . 20.1 t-160 -50.76 -53.58 30.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -39.73 -39.56 0.79 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 12.2 tp -71.73 -37.41 70.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.476 ' CE1' ' OE1' ' A' ' 108' ' ' GLU . 16.0 m-85 -63.81 -47.73 79.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 39.1 mt -52.06 -45.75 64.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.858 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 18.2 t90 -49.56 -31.58 10.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.474 ' CG1' ' CD1' ' A' ' 29' ' ' LEU . 97.6 t -67.91 -52.51 38.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.174 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -42.86 -51.12 5.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 20.0 t30 -46.48 -38.35 9.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 91.8 mt -90.8 131.63 37.04 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.614 0.721 . . . . 0.0 111.125 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 92.73 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.651 2.234 . . . . 0.0 112.354 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.474 ' CD1' ' CG1' ' A' ' 24' ' ' VAL . 27.4 mt -101.69 157.45 16.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 40.5 t -105.8 122.6 46.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.835 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.464 ' NE ' ' N ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -174.94 145.64 0.92 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.642 0.734 . . . . 0.0 110.849 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.449 ' O ' ' C ' ' A' ' 33' ' ' LYS . 53.9 Cg_endo -69.74 159.85 51.89 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.726 2.284 . . . . 0.0 112.352 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 32' ' ' PRO . 0.0 OUTLIER -34.48 -47.85 0.33 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 179.879 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.446 ' NH2' ' NH1' ' A' ' 38' ' ' ARG . 22.2 ttp180 -38.76 138.5 0.52 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.921 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.414 ' C ' ' O ' ' A' ' 34' ' ' ARG . 3.2 t30 -36.76 139.5 0.19 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.408 ' O ' ' C ' ' A' ' 37' ' ' SER . 4.3 pp -62.8 -43.11 99.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.949 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 36' ' ' LEU . 36.0 t -37.78 -43.66 0.68 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.846 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.446 ' NH1' ' NH2' ' A' ' 34' ' ' ARG . 2.0 tmt_? -61.95 -46.96 87.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.839 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -63.52 -46.65 85.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.842 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.49 ' O ' ' N ' ' A' ' 42' ' ' ASP . 7.7 m-85 -51.62 -33.08 31.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 40' ' ' PHE . 31.1 t -36.21 -30.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.887 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.49 ' N ' ' O ' ' A' ' 40' ' ' PHE . 3.9 p30 -101.76 146.76 27.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.845 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 44' ' ' VAL . . . -69.37 -33.55 73.03 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.469 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.421 ' C ' ' O ' ' A' ' 43' ' ' GLY . 77.4 t -36.36 -57.06 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.878 0.37 . . . . 0.0 111.106 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 27.7 tp -63.89 -50.2 69.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 93.1 t -44.48 -47.83 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.145 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -48.62 -41.64 31.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.07 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -54.35 -43.88 71.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 99.5 t -49.53 -51.73 14.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.118 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.439 ' O ' ' C ' ' A' ' 51' ' ' LYS . 12.5 mt -58.05 -47.29 87.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.128 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.449 ' CD ' ' HB3' ' A' ' 55' ' ' PRO . 0.3 OUTLIER -35.34 -64.43 0.28 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 179.842 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.434 ' C ' ' O ' ' A' ' 51' ' ' LYS . 11.5 t80 -35.7 -60.44 0.52 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 -63.71 -59.58 4.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.936 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 55.6 m-85 -130.06 96.8 24.55 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.651 0.739 . . . . 0.0 110.893 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.449 ' HB3' ' CD ' ' A' ' 51' ' ' LYS . 53.8 Cg_endo -69.84 -18.61 36.53 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.679 2.253 . . . . 0.0 112.315 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 15.3 ptpt -77.21 -33.07 56.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.919 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 80.4 mtp -65.17 -46.9 78.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.871 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.451 HG13 ' N ' ' A' ' 59' ' ' GLU . 92.4 t -63.53 136.89 25.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.084 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.451 ' N ' HG13 ' A' ' 58' ' ' VAL . 13.4 tp10 -100.98 -51.81 3.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 8.3 mmt 42.91 43.64 3.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.857 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 69.5 t60 -122.99 -18.24 6.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.817 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 14.0 p30 -124.37 -28.59 3.63 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 58.7 m-85 -68.43 120.78 15.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.917 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.408 ' CG1' ' HD2' ' A' ' 65' ' ' PRO . 83.9 t -125.76 136.97 29.11 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.631 0.729 . . . . 0.0 111.152 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.408 ' HD2' ' CG1' ' A' ' 64' ' ' VAL . 53.8 Cg_endo -69.78 125.04 11.68 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.676 2.25 . . . . 0.0 112.368 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -130.33 171.66 12.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.123 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 25.6 p-10 -114.92 25.77 10.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.879 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 70.4 m -123.08 131.67 53.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.82 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 25.7 tp -51.11 -48.15 61.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.909 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -50.01 -47.9 52.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 18.0 tp60 -64.23 -47.11 80.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 15.6 mmtp -46.02 -65.28 0.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 90.6 mt -54.26 -46.22 72.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.2 t -44.21 -44.05 7.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -72.33 -34.65 68.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 42.7 m95 -65.67 -59.77 3.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.956 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -44.51 -43.69 7.85 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.474 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 4.2 t-160 -67.79 -45.93 73.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.805 0.336 . . . . 0.0 110.86 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 5.2 tp -58.07 -18.12 22.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.933 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.453 ' HA ' ' CD1' ' A' ' 84' ' ' LEU . 57.7 t-20 -75.18 -36.78 61.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.822 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 15.7 mtp180 -105.65 3.45 29.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.845 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.459 ' O ' ' CZ ' ' A' ' 86' ' ' ARG . 23.9 mmtt -111.76 -22.87 10.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 46.7 t -130.92 -68.79 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.118 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.499 ' O ' ' N ' ' A' ' 87' ' ' LEU . 77.1 mt -40.93 -49.84 3.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.92 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 84' ' ' LEU . 33.3 ttpt -35.31 -57.32 0.6 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.929 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.459 ' CZ ' ' O ' ' A' ' 82' ' ' LYS . 0.3 OUTLIER -52.71 -39.11 61.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.838 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.499 ' N ' ' O ' ' A' ' 84' ' ' LEU . 10.6 mt -86.71 28.93 0.83 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.426 ' C ' ' O ' ' A' ' 87' ' ' LEU . 8.0 m-20 36.09 36.73 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -111.57 121.94 46.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 53.3 m -122.54 126.56 48.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.473 ' CG1' ' HD2' ' A' ' 92' ' ' PRO . 86.3 t -119.55 138.71 26.9 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.613 0.721 . . . . 0.0 111.113 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.473 ' HD2' ' CG1' ' A' ' 91' ' ' VAL . 53.6 Cg_endo -69.74 -175.01 1.01 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.732 2.288 . . . . 0.0 112.331 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -90.65 -46.8 8.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.87 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -51.56 -20.32 1.88 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.87 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.469 ' CG2' ' HG2' ' A' ' 92' ' ' PRO . 37.6 t -87.89 -38.0 11.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 7.6 mtt -68.91 -43.84 74.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 24.3 mtm180 -52.5 -31.72 36.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.87 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 3.7 mtpm? -80.87 -42.67 21.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 96.6 mt -53.79 -50.41 52.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.144 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -69.97 -19.15 63.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.123 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 102' ' ' CYS . 9.4 mm-40 -92.24 28.29 1.96 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.922 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . 0.407 ' C ' ' O ' ' A' ' 101' ' ' GLN . 20.0 p 36.99 52.82 1.1 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.455 ' HB3' ' CG2' ' A' ' 106' ' ' VAL . . . -75.73 163.37 67.59 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.574 0.702 . . . . 0.0 111.073 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.444 ' O ' ' C ' ' A' ' 105' ' ' GLY . 53.6 Cg_endo -69.77 119.65 6.56 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.7 2.266 . . . . 0.0 112.311 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 104' ' ' PRO . . . 35.1 85.6 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.496 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.455 ' CG2' ' HB3' ' A' ' 103' ' ' ALA . 57.6 t -134.41 -58.48 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.876 0.369 . . . . 0.0 111.162 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 6.3 p -61.55 -33.98 59.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.121 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.476 ' OE1' ' CE1' ' A' ' 21' ' ' TYR . 10.6 mm-40 -57.15 -30.74 64.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 35.2 mt -65.17 -25.1 67.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 45.0 t -93.64 -15.97 7.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.107 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 45.0 mt -82.68 -28.49 30.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.948 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.52 ' N ' ' HD2' ' A' ' 113' ' ' PRO . 3.8 mt -58.07 -57.87 22.81 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.612 0.72 . . . . 0.0 111.109 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.52 ' HD2' ' N ' ' A' ' 112' ' ' ILE . 53.9 Cg_endo -69.74 -35.16 13.2 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.659 2.239 . . . . 0.0 112.359 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 6.3 tp -45.89 -38.35 7.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 44.0 ttp180 -73.96 -42.11 60.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -61.39 -34.58 75.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.934 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 29.5 mmt-85 -71.96 -46.21 58.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 17.0 mt -64.22 -49.97 69.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -49.13 -33.88 12.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -52.25 -51.07 60.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 48.6 mtt85 -72.81 -31.87 65.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.834 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . 0.433 ' O ' ' C ' ' A' ' 123' ' ' ARG . 13.6 tt0 -51.32 -42.89 61.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.904 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 122' ' ' GLN . 38.0 ptt85 -35.05 -41.33 0.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.855 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 26.8 mmm-85 -39.26 128.61 1.77 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 19.5 mmm180 -43.5 141.08 1.5 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.841 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 19.2 ttpp -148.93 159.61 44.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 5.1 pm0 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 179.95 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.8 p -119.07 -48.19 2.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.942 0.401 . . . . 0.0 110.907 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.4 m -41.86 162.71 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.842 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.32 -172.47 15.62 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.493 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.7 t -162.63 123.42 2.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.891 0.377 . . . . 0.0 110.856 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.4 p -113.34 176.15 5.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.87 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.89 75.5 0.31 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.472 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -72.82 160.91 31.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.793 0.33 . . . . 0.0 110.848 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -80.45 153.1 28.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.127 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 70.2 m -155.85 170.69 21.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.821 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.2 m -81.73 157.51 24.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.873 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 92.4 t -44.36 144.71 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.157 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -132.55 170.86 14.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -54.08 -41.37 68.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.929 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -54.37 -41.01 68.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.53 -34.18 77.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.1 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 24.1 mt -64.65 -51.0 64.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.912 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 10.9 t-160 -50.51 -53.63 28.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 33.9 mm-40 -45.33 -30.9 1.41 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.938 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.0 tp -82.95 -33.88 26.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.485 ' CG ' HD23 ' A' ' 36' ' ' LEU . 2.8 m-85 -67.09 -37.53 84.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.938 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 21.6 mt -62.13 -57.05 13.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.92 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.501 ' CD2' ' HD2' ' A' ' 115' ' ' ARG . 6.5 t90 -39.59 -42.19 1.14 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 69.4 t -65.64 -53.63 36.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.124 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -49.75 -43.96 48.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -51.8 -54.86 24.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 79.7 mt -59.7 133.35 89.11 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.612 0.72 . . . . 0.0 111.156 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 117.13 4.9 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.676 2.251 . . . . 0.0 112.363 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 21.6 mt -142.35 118.15 10.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.922 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.9 t -38.83 -52.08 1.73 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 32.7 mtt85 -46.8 158.81 0.4 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.531 0.681 . . . . 0.0 110.909 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -167.87 0.25 Allowed 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.699 2.266 . . . . 0.0 112.357 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.44 ' HD2' ' N ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -123.97 49.81 1.71 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.901 179.893 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -96.68 -179.11 4.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -39.9 104.04 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.485 HD23 ' CG ' ' A' ' 21' ' ' TYR . 4.3 pp -73.24 -38.8 65.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.911 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.8 t -40.79 -38.49 0.93 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 13.6 tpp180 -91.19 -23.18 20.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.467 ' N ' ' O ' ' A' ' 36' ' ' LEU . 26.6 t0 -81.07 -64.23 1.23 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.435 ' O ' ' C ' ' A' ' 41' ' ' SER . 2.9 m-85 -45.58 -48.09 14.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 40' ' ' PHE . 2.4 m -35.54 -34.71 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.895 -179.8 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 40' ' ' PHE . 4.7 t70 -46.34 -52.81 12.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.848 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 113.08 -48.97 0.88 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.507 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 47.2 t -58.47 -37.02 61.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.845 0.355 . . . . 0.0 111.089 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 14.3 tp -69.19 -41.77 76.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 91.4 t -49.03 -36.04 7.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.134 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.35 -48.5 75.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.104 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -45.6 -51.21 12.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 81.2 t -49.1 -42.16 14.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.112 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 37.9 mt -66.86 -35.27 74.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.14 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 30.4 tptt -45.13 -51.86 9.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.891 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 43.8 t80 -43.28 -50.94 6.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -73.38 -58.05 3.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.935 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -132.69 120.6 16.71 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.638 0.732 . . . . 0.0 110.876 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -44.98 1.77 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.691 2.261 . . . . 0.0 112.365 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 37.4 mtpt -59.85 -52.4 65.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 64.6 mmm -38.54 -33.21 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.863 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 67.3 t -86.93 129.95 37.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.088 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.513 ' O ' ' CD2' ' A' ' 63' ' ' TYR . 27.3 mt-10 -129.92 71.67 1.46 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 23.6 mmt -65.8 -39.56 91.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 24.1 t-80 -38.65 -35.22 0.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.839 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -90.46 -52.63 4.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.513 ' CD2' ' O ' ' A' ' 59' ' ' GLU . 41.2 m-85 -64.49 129.5 40.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 97.6 t -123.0 132.09 24.31 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.624 0.726 . . . . 0.0 111.084 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 116.33 4.5 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.682 2.255 . . . . 0.0 112.376 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -114.26 168.47 9.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.097 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -94.58 -67.7 0.84 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 21.5 t -50.25 169.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.85 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.449 ' HA ' ' CG ' ' A' ' 72' ' ' LYS . 0.8 OUTLIER -89.12 -37.68 14.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.41 ' N ' ' HG ' ' A' ' 69' ' ' LEU . 1.5 pp0? -42.7 -42.27 3.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 43.2 tp60 -71.08 -41.49 70.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.449 ' CG ' ' HA ' ' A' ' 69' ' ' LEU . 47.1 mmtt -39.31 -66.73 0.26 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 18.5 mt -43.1 -45.05 5.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.6 t -49.37 -53.45 22.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 43.8 m-20 -59.81 -60.13 4.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.883 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.483 ' CZ2' HG21 ' A' ' 99' ' ' ILE . 34.4 m95 -42.29 -50.44 4.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -44.51 -45.42 8.48 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.44 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 49.0 m170 -68.88 -48.02 64.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.833 0.349 . . . . 0.0 110.873 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.0 tp -58.24 -13.54 5.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 36.5 t-20 -86.13 -30.07 22.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.921 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 64.6 mtp180 -109.5 0.67 19.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.1 mmpt? -113.78 -37.04 4.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.865 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 97.2 t -107.76 -70.02 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.089 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.405 ' O ' ' N ' ' A' ' 87' ' ' LEU . 73.4 mt -40.49 -61.7 0.88 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.862 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 84' ' ' LEU . 24.0 ttpp -37.01 -51.64 0.94 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -53.5 -44.73 69.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.405 ' N ' ' O ' ' A' ' 84' ' ' LEU . 10.0 mt -87.17 31.85 0.71 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 40.09 36.93 0.34 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -109.77 143.33 39.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 57.7 m -133.32 163.77 28.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 10.8 t -159.53 129.73 3.5 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.59 0.709 . . . . 0.0 111.163 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.454 ' HG2' ' CG2' ' A' ' 95' ' ' VAL . 53.7 Cg_endo -69.78 155.27 66.28 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.658 2.239 . . . . 0.0 112.37 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -61.52 -34.95 76.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.864 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -56.04 -45.63 79.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.454 ' CG2' ' HG2' ' A' ' 92' ' ' PRO . 87.7 t -71.19 -36.83 63.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.115 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 4.5 mtt -58.31 -50.16 74.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 20.7 mtp85 -47.81 -54.19 13.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 14.5 mttm -53.99 -59.99 3.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.915 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.483 HG21 ' CZ2' ' A' ' 76' ' ' TRP . 71.8 mt -45.25 -49.58 3.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.116 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -60.11 -27.02 66.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.111 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 19.5 mm-40 -84.45 12.8 6.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.942 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 99.8 m 56.43 46.58 20.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -81.08 136.75 49.97 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.608 0.718 . . . . 0.0 111.078 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 131.43 21.3 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.747 2.298 . . . . 0.0 112.37 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.453 ' O ' ' C ' ' A' ' 106' ' ' VAL . . . 84.55 -58.64 4.98 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.505 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.453 ' C ' ' O ' ' A' ' 105' ' ' GLY . 39.3 t -33.81 -53.63 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.875 0.369 . . . . 0.0 111.131 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 8.8 p -67.84 -46.66 81.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.122 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 42.0 mp0 -53.93 -33.8 57.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 38.6 mt -59.85 -21.3 60.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.948 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 2.6 t -102.21 -16.59 7.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.156 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 72.8 mt -74.49 -43.29 56.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.921 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.512 ' N ' ' HD2' ' A' ' 113' ' ' PRO . 3.3 mt -52.24 -58.45 11.49 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.582 0.706 . . . . 0.0 111.136 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.512 ' HD2' ' N ' ' A' ' 112' ' ' ILE . 53.6 Cg_endo -69.76 -18.05 37.23 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.631 2.221 . . . . 0.0 112.346 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 13.5 tp -69.13 -45.54 69.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.501 ' HD2' ' CD2' ' A' ' 23' ' ' TRP . 37.8 ttt-85 -79.85 -44.8 19.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.402 ' CG ' ' N ' ' A' ' 117' ' ' ARG . 5.4 pt20 -47.0 -42.39 17.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.402 ' N ' ' CG ' ' A' ' 116' ' ' GLN . 15.7 mmm180 -69.07 -54.83 13.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 84.4 mt -41.16 -54.53 2.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.866 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -44.98 -40.73 6.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -53.36 -44.58 68.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.871 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 47.3 mtp85 -76.0 -52.9 9.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.849 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 6.0 tp60 -46.72 -55.75 7.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 22.6 ptt85 -77.79 165.4 24.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 14.0 mmm180 -144.58 153.96 42.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 38.5 mtp180 -85.02 174.27 9.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 4.0 mppt? -84.27 138.77 32.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.925 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 179.99 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.9 m -125.31 42.21 3.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.907 0.384 . . . . 0.0 110.87 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.3 t -46.04 140.95 3.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.813 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -104.44 152.09 17.5 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.516 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.2 p -108.91 110.46 21.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.865 0.364 . . . . 0.0 110.882 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 t -81.29 166.4 20.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.834 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.32 113.85 0.31 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.508 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -161.14 169.82 21.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.762 0.315 . . . . 0.0 110.869 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -97.11 84.65 3.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.138 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.0 m -112.34 153.74 26.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.9 p -59.08 146.61 37.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.892 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 86.8 t -47.2 138.77 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.13 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -124.58 176.82 6.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.831 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -62.58 -29.72 70.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.908 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -77.13 -41.62 41.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.936 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -43.4 -44.31 5.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.111 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 22.9 mt -67.48 -51.0 56.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.951 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.414 ' O ' ' C ' ' A' ' 19' ' ' GLN . 20.4 t-80 -43.4 -56.63 3.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.814 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.414 ' C ' ' O ' ' A' ' 18' ' ' HIS . 20.6 mm-40 -36.29 -46.99 0.56 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.961 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.7 tp -65.09 -46.12 82.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.928 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.406 ' N ' ' O ' ' A' ' 18' ' ' HIS . 17.6 m-85 -50.33 -44.34 54.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.5 mt -46.68 -48.4 20.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.913 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.503 ' CE2' ' HD3' ' A' ' 115' ' ' ARG . 10.6 t90 -47.21 -47.31 24.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.414 HG12 ' NH1' ' A' ' 31' ' ' ARG . 60.4 t -58.92 -40.18 79.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.099 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -56.93 -46.9 81.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -45.11 -33.61 2.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.484 ' CG2' ' HG ' ' A' ' 29' ' ' LEU . 6.1 mt -85.37 136.28 37.84 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.603 0.716 . . . . 0.0 111.133 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.489 ' O ' ' C ' ' A' ' 29' ' ' LEU . 53.7 Cg_endo -69.74 8.12 0.84 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.643 2.229 . . . . 0.0 112.377 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.489 ' C ' ' O ' ' A' ' 28' ' ' PRO . 64.9 mt -30.32 133.72 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 35.1 t -78.22 48.77 0.77 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.845 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.414 ' NH1' HG12 ' A' ' 24' ' ' VAL . 53.8 mtm-85 -62.62 144.44 95.99 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.608 0.718 . . . . 0.0 110.864 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -167.93 0.25 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.684 2.256 . . . . 0.0 112.334 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 68.1 mmtt -103.67 -34.35 8.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 21.5 mmm180 -54.87 174.52 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.864 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.414 ' O ' ' CG ' ' A' ' 39' ' ' ASP . 15.0 t-20 -44.19 145.57 0.76 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.4 mt -77.15 -48.56 17.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.2 t -42.59 -48.34 5.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 21.6 mtp180 -64.94 -44.98 87.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.861 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.414 ' CG ' ' O ' ' A' ' 35' ' ' ASN . 5.0 m-20 -56.82 -60.82 3.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.438 ' O ' ' C ' ' A' ' 41' ' ' SER . 18.2 m-85 -59.93 -49.35 78.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 40' ' ' PHE . 40.3 t -35.14 -39.15 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.84 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -54.34 -55.95 23.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.864 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 111.66 -45.08 1.37 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.507 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.442 ' CG1' ' HE2' ' A' ' 60' ' ' MET . 74.7 t -45.71 -36.91 2.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.891 0.377 . . . . 0.0 111.138 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 22.2 tp -62.01 -51.2 69.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.968 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 91.2 t -39.73 -50.3 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.09 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -45.8 -47.53 15.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.106 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -49.06 -48.68 43.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.406 HG22 ' CD1' ' A' ' 29' ' ' LEU . 92.9 t -46.82 -53.22 3.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.177 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.447 ' O ' ' C ' ' A' ' 51' ' ' LYS . 77.0 mt -51.25 -46.55 33.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.156 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 50' ' ' ILE . 13.5 tptm -34.55 -58.56 0.49 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -40.94 -47.77 3.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -75.09 -52.74 10.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -138.84 112.75 8.3 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.634 0.73 . . . . 0.0 110.891 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.71 -43.99 2.38 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.674 2.249 . . . . 0.0 112.333 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 15.8 ptpt -59.95 -42.24 93.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 48.1 mmm -49.63 -53.31 24.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.903 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 51.6 t -74.73 134.28 29.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.138 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -95.46 -58.0 2.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.442 ' HE2' ' CG1' ' A' ' 44' ' ' VAL . 3.7 mmt 59.55 45.98 12.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 8.7 m170 -131.68 -37.68 1.18 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.834 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -94.99 -45.98 7.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.418 ' C ' HG22 ' A' ' 64' ' ' VAL . 71.2 m-85 -58.89 147.59 33.35 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.465 ' CG1' ' HD2' ' A' ' 65' ' ' PRO . 85.2 t -155.83 138.67 10.59 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.604 0.716 . . . . 0.0 111.111 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.465 ' HD2' ' CG1' ' A' ' 64' ' ' VAL . 54.1 Cg_endo -69.78 127.62 14.83 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.647 2.231 . . . . 0.0 112.346 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -139.57 160.31 40.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.118 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 26.5 m120 -88.21 -55.01 3.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 41.7 t -43.04 160.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.826 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' A' ' 70' ' ' GLN . 12.2 mt -82.46 -44.78 15.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.913 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 69' ' ' LEU . 3.9 tm0? -38.02 -45.57 0.91 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.43 ' O ' ' C ' ' A' ' 72' ' ' LYS . 60.6 tp60 -68.26 -49.48 60.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.906 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 71' ' ' GLN . 17.1 mmtp -36.2 -56.42 0.76 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 77.7 mt -70.81 -35.75 72.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.935 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 39.4 t -51.1 -56.78 10.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -61.07 -61.92 2.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.885 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 37.1 m95 -41.3 -50.84 3.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.945 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -49.7 -48.17 36.71 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.492 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.463 ' O ' ' CG ' ' A' ' 82' ' ' LYS . 6.8 m-70 -64.94 -31.08 72.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.84 0.352 . . . . 0.0 110.862 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.8 tp -71.43 -12.75 61.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 40.6 t-20 -79.6 -32.63 41.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 39.1 mtm180 -109.7 1.7 19.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.463 ' CG ' ' O ' ' A' ' 78' ' ' HIS . 27.4 mmtt -111.64 -30.23 7.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.425 ' O ' ' C ' ' A' ' 84' ' ' LEU . 93.6 t -121.38 -71.42 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.171 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.425 ' C ' ' O ' ' A' ' 83' ' ' VAL . 65.6 mt -35.89 -60.33 0.54 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.94 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 12.5 tptm -46.39 -45.44 17.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 20.6 mmt180 -61.55 -36.85 81.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 15.3 mt -94.04 33.16 1.37 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.927 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 44.5 t30 43.16 29.49 0.21 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.923 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -108.31 157.17 18.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.856 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 59.5 p -155.15 142.22 19.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.839 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.461 ' CG1' ' HB ' ' A' ' 95' ' ' VAL . 72.2 t -145.31 135.33 11.77 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.661 0.743 . . . . 0.0 111.101 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 167.01 25.62 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.678 2.252 . . . . 0.0 112.336 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -66.68 -34.61 78.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -54.95 -47.62 74.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.834 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.461 ' HB ' ' CG1' ' A' ' 91' ' ' VAL . 22.8 t -59.41 -47.62 90.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.157 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 7.7 mtt -57.37 -52.55 64.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.892 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 18.0 mtm-85 -39.48 -46.51 1.71 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.83 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 33.1 mttp -61.0 -54.47 44.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.846 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 82.2 mt -49.16 -62.94 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.131 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -52.31 -24.94 8.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.055 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.434 ' O ' ' C ' ' A' ' 102' ' ' CYS . 28.2 mm-40 -92.44 31.66 1.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . 0.434 ' C ' ' O ' ' A' ' 101' ' ' GLN . 4.8 t 35.79 44.49 0.23 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -76.67 143.05 71.05 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.541 0.686 . . . . 0.0 111.115 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.422 ' O ' ' C ' ' A' ' 105' ' ' GLY . 53.7 Cg_endo -69.77 152.28 69.21 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.707 2.272 . . . . 0.0 112.306 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 104' ' ' PRO . . . 35.56 59.3 0.85 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.481 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 91.5 t -131.01 -61.71 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.866 0.365 . . . . 0.0 111.126 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 12.0 p -60.75 -38.13 77.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.121 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 31.4 mp0 -58.26 -38.98 78.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 56.6 mt -53.33 -16.82 1.48 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.9 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 48.4 t -104.77 -28.04 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.142 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 94.3 mt -67.56 -42.83 81.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.945 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.505 ' N ' ' HD2' ' A' ' 113' ' ' PRO . 3.1 mt -48.96 -58.41 8.7 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.646 0.736 . . . . 0.0 111.129 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.505 ' HD2' ' N ' ' A' ' 112' ' ' ILE . 54.3 Cg_endo -69.72 -33.35 16.94 Favored 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.692 2.262 . . . . 0.0 112.361 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 16.8 tp -41.87 -45.63 3.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.956 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.503 ' HD3' ' CE2' ' A' ' 23' ' ' TRP . 13.1 mtm180 -67.41 -58.43 4.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.866 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 115' ' ' ARG . 10.2 mt-30 -34.4 -38.92 0.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.918 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -78.38 -52.04 9.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 83.5 mt -51.68 -46.96 64.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.933 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -58.34 -42.19 86.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -51.32 -55.17 19.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 29.8 mtt85 -67.24 -51.37 53.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -46.43 -69.85 0.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -50.55 166.4 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 60.0 mtt180 -142.16 124.95 15.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 14.4 tpt180 -95.79 124.71 39.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 127' ' ' GLN . 8.5 mtpt -87.93 171.36 10.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' A' ' 126' ' ' LYS . 38.2 mt-30 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.946 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t -174.05 167.06 4.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.907 0.384 . . . . 0.0 110.837 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.5 t -130.99 123.79 29.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.862 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.6 44.75 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.479 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.3 t -104.27 138.94 39.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.914 0.388 . . . . 0.0 110.841 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.0 p -80.92 -47.18 14.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.861 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.05 91.71 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.483 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.9 ttt -155.71 154.07 30.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.768 0.318 . . . . 0.0 110.837 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.73 119.82 12.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.075 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.6 m -141.99 167.42 22.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 76.1 p -66.67 151.27 47.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.831 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 94.6 t -48.24 136.35 4.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.153 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -94.81 174.31 7.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -62.87 -45.63 91.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -55.16 -47.08 75.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -47.84 -43.61 28.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.095 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.2 mt -61.1 -40.92 95.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.953 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -44.55 -47.61 10.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.841 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 80.1 mm-40 -49.27 -42.41 40.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.447 ' CD2' ' HG3' ' A' ' 108' ' ' GLU . 6.5 tp -67.43 -30.96 70.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -70.4 -25.55 63.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.933 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 70.0 mt -81.21 -46.37 14.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.925 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.48 ' O ' ' ND2' ' A' ' 26' ' ' ASN . 27.7 t90 -47.76 -44.22 27.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 47.7 t -58.32 -26.9 31.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.071 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -71.92 -46.97 55.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.489 ' OD1' ' N ' ' A' ' 27' ' ' ILE . 0.6 OUTLIER -52.67 -43.58 65.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 -179.923 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.489 ' N ' ' OD1' ' A' ' 26' ' ' ASN . 88.4 mt -52.41 126.57 38.29 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.632 0.729 . . . . 0.0 111.074 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 101.43 0.91 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.646 2.231 . . . . 0.0 112.363 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 15.0 mt -122.56 140.68 52.51 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.929 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 69.4 m -84.2 65.8 8.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -167.73 148.57 4.79 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.642 0.734 . . . . 0.0 110.839 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -166.34 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.682 2.255 . . . . 0.0 112.302 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.2 mptt -92.45 113.97 26.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.465 ' O ' ' N ' ' A' ' 36' ' ' LEU . 77.9 mtp180 -146.54 150.69 36.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.832 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -42.34 93.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.93 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.566 ' HB2' ' CE1' ' A' ' 40' ' ' PHE . 1.0 OUTLIER -68.11 -27.96 66.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.923 179.934 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 37.9 t -48.15 -44.69 32.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 37.3 ttt180 -85.72 -51.92 6.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.831 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -45.05 -53.75 7.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.836 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.566 ' CE1' ' HB2' ' A' ' 36' ' ' LEU . 6.1 m-85 -47.24 -44.14 22.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 40' ' ' PHE . 7.3 p -37.73 -33.25 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.879 -179.793 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -56.26 -51.3 68.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 105.57 -42.36 1.92 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.489 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 69.9 t -55.74 -35.87 41.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.866 0.365 . . . . 0.0 111.131 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.425 HD22 ' CE1' ' A' ' 40' ' ' PHE . 13.0 tp -64.01 -50.27 69.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.966 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 85.9 t -49.7 -44.37 19.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.147 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -53.6 -37.56 63.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.085 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -66.14 -39.02 89.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 57.3 t -57.2 -39.8 69.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.145 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 46.9 mt -64.81 -34.21 68.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.147 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 27.1 tptt -43.02 -54.26 4.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -44.04 -55.84 4.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.448 ' CD2' ' HB3' ' A' ' 118' ' ' LEU . 59.8 m-85 -64.87 -56.46 13.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 -139.95 108.87 7.02 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.656 0.741 . . . . 0.0 110.873 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -31.79 19.68 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.714 2.276 . . . . 0.0 112.323 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 14.8 pttp -69.22 -44.24 72.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.926 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 19.0 mmm -56.38 -29.43 61.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 90.6 t -84.26 128.29 39.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.124 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -123.66 84.04 2.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 6.9 mmt -83.09 56.44 3.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 8.2 m170 -130.53 -33.57 1.64 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -93.64 -47.99 6.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -63.91 125.17 23.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.94 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.416 ' CG1' ' HD2' ' A' ' 65' ' ' PRO . 89.3 t -121.3 137.56 26.98 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.629 0.728 . . . . 0.0 111.135 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.416 ' HD2' ' CG1' ' A' ' 64' ' ' VAL . 53.4 Cg_endo -69.75 107.17 1.8 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.652 2.235 . . . . 0.0 112.357 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.414 ' O ' ' NZ ' ' A' ' 72' ' ' LYS . . . -109.53 176.52 5.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.092 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 57.0 m-20 -117.3 -39.27 3.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.0 m -59.17 171.79 0.69 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.403 ' C ' ' CD1' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -82.0 -58.05 3.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.939 179.947 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 69' ' ' LEU . 13.6 pt20 -38.07 -47.3 1.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.966 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -54.69 -47.5 73.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.414 ' NZ ' ' O ' ' A' ' 66' ' ' ALA . 0.0 OUTLIER -49.44 -64.37 0.83 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.901 179.939 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 22.9 mt -50.71 -46.33 58.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.897 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 6.2 t -55.56 -47.65 76.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.85 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 17.9 m-20 -61.03 -59.32 5.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.522 ' CZ2' HG23 ' A' ' 99' ' ' ILE . 34.9 m95 -48.98 -51.56 29.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -38.36 -50.94 2.31 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.479 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 17.7 m80 -62.64 -54.49 38.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.862 0.363 . . . . 0.0 110.891 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.0 tp -46.14 -22.49 0.23 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.936 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.401 ' HA ' ' CD1' ' A' ' 84' ' ' LEU . 37.9 t-20 -77.83 -38.63 45.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 19.2 mmm180 -103.32 4.65 36.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 13.8 mmtm -115.16 -31.88 5.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.417 ' O ' ' C ' ' A' ' 84' ' ' LEU . 78.6 t -117.16 -74.44 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.122 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 87' ' ' LEU . 73.7 mt -36.52 -58.31 0.72 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 19.6 ttpp -38.48 -53.15 1.57 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 29.8 mmt180 -57.36 -38.45 74.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.81 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 84' ' ' LEU . 18.3 mt -84.62 29.43 0.61 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.927 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 60.6 t30 42.72 34.84 0.62 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -111.84 144.11 41.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 57.7 m -134.36 147.51 50.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.466 ' CG1' ' HD2' ' A' ' 92' ' ' PRO . 97.7 t -147.83 138.89 13.34 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.581 0.705 . . . . 0.0 111.158 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.466 ' HD2' ' CG1' ' A' ' 91' ' ' VAL . 53.5 Cg_endo -69.8 163.0 39.94 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.702 2.268 . . . . 0.0 112.319 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -73.31 -20.32 60.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -72.43 -49.19 35.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.905 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 16.4 t -60.64 -32.98 53.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.147 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 11.6 mtm -63.28 -44.59 94.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.871 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 41.1 mtt180 -49.9 -52.3 34.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.84 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 30.2 mttm -53.1 -58.36 7.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.88 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.522 HG23 ' CZ2' ' A' ' 76' ' ' TRP . 83.4 mt -44.37 -56.07 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.078 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -61.57 -23.64 66.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.113 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 9.9 mm-40 -83.96 16.48 2.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.935 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 63.0 m 51.17 54.38 11.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -96.26 121.4 60.51 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.625 0.726 . . . . 0.0 111.095 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.71 128.83 16.64 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.7 2.267 . . . . 0.0 112.372 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 101.17 -51.28 0.96 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.464 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 40.3 t -47.23 -72.19 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.867 0.365 . . . . 0.0 111.118 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 6.0 p -49.92 -34.01 9.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.101 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.447 ' HG3' ' CD2' ' A' ' 20' ' ' LEU . 2.3 tp10 -56.41 -44.35 80.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.912 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 34.7 mt -57.54 -19.35 24.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 2.1 t -94.94 -18.62 6.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.172 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 90.5 mt -80.49 -29.65 37.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.516 ' N ' ' HD2' ' A' ' 113' ' ' PRO . 3.8 mt -62.72 -57.99 19.08 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.628 0.728 . . . . 0.0 111.145 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.516 ' HD2' ' N ' ' A' ' 112' ' ' ILE . 54.0 Cg_endo -69.81 -35.43 12.51 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.661 2.241 . . . . 0.0 112.343 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 13.5 tp -50.43 -60.35 3.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.919 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.411 ' HG3' ' N ' ' A' ' 116' ' ' GLN . 46.6 ptt85 -55.19 -41.6 72.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.411 ' N ' ' HG3' ' A' ' 115' ' ' ARG . 40.0 mt-30 -53.8 -34.59 59.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.922 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -76.03 -40.38 53.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.839 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.448 ' HB3' ' CD2' ' A' ' 53' ' ' TYR . 68.5 mt -66.27 -34.36 77.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -66.47 -27.82 68.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -93.65 -17.2 23.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.845 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 4.9 mmm180 -85.28 -37.64 19.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.875 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . 0.432 ' O ' ' C ' ' A' ' 123' ' ' ARG . 4.9 pt20 -40.58 -32.73 0.22 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 122' ' ' GLN . 14.0 ptt180 -35.61 -41.39 0.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 12.1 mmm-85 -65.67 100.52 0.53 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.863 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 31.1 mmt180 -85.73 112.29 20.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 21.0 mmtp -123.16 161.93 23.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.881 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.941 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.438 -0.265 . . . . 0.0 112.438 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.7 t -72.39 158.56 35.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.882 0.372 . . . . 0.0 110.876 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.5 p -170.84 127.95 0.75 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.844 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.03 175.91 41.49 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.518 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.2 t -115.92 152.88 32.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.844 0.354 . . . . 0.0 110.841 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.9 m -157.98 120.85 3.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.845 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.45 68.45 0.45 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.515 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.6 ttt -134.15 142.69 47.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.817 0.341 . . . . 0.0 110.883 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.32 93.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.092 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 58.1 m -157.63 172.96 17.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 53.0 p -52.79 170.04 0.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 85.0 t -45.92 132.03 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.108 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -91.51 157.76 16.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.842 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -55.65 -35.86 66.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.431 ' HG3' ' N ' ' A' ' 16' ' ' ALA . 12.1 pt-20 -59.99 -43.23 95.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.431 ' N ' ' HG3' ' A' ' 15' ' ' GLU . . . -55.02 -46.34 75.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.103 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 59.5 mt -52.04 -47.85 64.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 9.8 t60 -50.15 -49.79 51.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 71.3 mm-40 -48.95 -34.15 12.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.0 tp -76.74 -28.27 55.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -72.64 -24.35 61.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.955 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 34.5 mt -80.9 -49.25 11.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.937 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.446 ' CH2' HG12 ' A' ' 49' ' ' VAL . 12.7 t90 -42.47 -34.89 0.91 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.952 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 74.4 t -67.25 -43.54 88.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.133 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -52.62 -51.22 60.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 31.3 t30 -43.71 -51.83 6.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 65.7 mt -68.52 134.89 90.66 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.573 0.701 . . . . 0.0 111.173 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 102.72 1.06 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.729 2.286 . . . . 0.0 112.335 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 22.3 mt -130.57 66.88 1.5 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.469 ' O ' ' C ' ' A' ' 31' ' ' ARG . 4.1 t -37.96 -56.69 1.11 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.844 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.469 ' C ' ' O ' ' A' ' 30' ' ' SER . 0.8 OUTLIER -32.78 96.14 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.551 0.691 . . . . 0.0 110.893 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.432 ' N ' ' O ' ' A' ' 30' ' ' SER . 53.8 Cg_endo -69.74 174.29 9.7 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.658 2.239 . . . . 0.0 112.32 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.46 ' HD3' ' N ' ' A' ' 33' ' ' LYS . 0.9 OUTLIER -166.62 142.04 4.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 179.904 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 20.5 ttt85 -57.4 -44.41 84.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.839 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.442 ' HB3' ' CB ' ' A' ' 38' ' ' ARG . 4.2 t-20 -131.84 176.62 8.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.559 HD12 ' CD1' ' A' ' 40' ' ' PHE . 0.7 OUTLIER -86.87 -54.68 4.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.941 179.928 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.2 t -73.16 -35.92 66.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.442 ' CB ' ' HB3' ' A' ' 35' ' ' ASN . 17.9 ttt85 -46.26 -39.58 10.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.912 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 40' ' ' PHE . 0.5 OUTLIER -93.78 -63.86 1.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 179.948 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.559 ' CD1' HD12 ' A' ' 36' ' ' LEU . 8.2 m-85 -37.72 -41.14 0.47 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.46 ' CB ' ' SG ' ' A' ' 102' ' ' CYS . 77.9 p -34.76 -45.66 0.26 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.866 -179.814 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -79.81 154.69 28.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -84.61 38.17 2.92 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.503 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 58.9 t -115.14 -41.81 3.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.892 0.377 . . . . 0.0 111.143 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.2 -47.65 64.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.923 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 57.5 t -50.57 -52.56 15.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.139 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -38.97 -58.16 1.15 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.073 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -42.02 -51.26 4.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.446 HG12 ' CH2' ' A' ' 23' ' ' TRP . 97.6 t -46.65 -38.96 3.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.142 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.402 ' O ' ' C ' ' A' ' 51' ' ' LYS . 16.5 mt -77.04 -44.05 31.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 50' ' ' ILE . 11.2 tptm -36.54 -40.81 0.27 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 27.9 t80 -52.78 -55.55 22.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -75.22 -48.06 25.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -129.91 95.23 29.24 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.603 0.716 . . . . 0.0 110.829 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -33.04 17.54 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.668 2.245 . . . . 0.0 112.361 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.9 mmmt -71.57 -50.92 26.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 25.3 mmm -43.99 -42.19 5.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.899 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 58.1 t -80.7 123.94 37.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.128 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.9 mp0 -114.32 85.78 2.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.402 ' O ' ' N ' ' A' ' 62' ' ' ASN . 6.1 mmt -61.38 -46.37 90.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.848 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 35.0 t60 -38.76 -31.14 0.05 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.851 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.402 ' N ' ' O ' ' A' ' 60' ' ' MET . 35.4 m-20 -91.43 -46.46 7.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -79.75 129.61 34.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.96 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.472 ' CG1' ' HD2' ' A' ' 65' ' ' PRO . 90.8 t -135.11 138.79 30.08 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.622 0.725 . . . . 0.0 111.115 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.472 ' HD2' ' CG1' ' A' ' 64' ' ' VAL . 53.9 Cg_endo -69.77 104.19 1.28 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.697 2.265 . . . . 0.0 112.345 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -97.72 169.45 9.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.123 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -121.65 45.77 2.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.878 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 90.9 p -157.15 120.57 4.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.435 ' O ' ' C ' ' A' ' 70' ' ' GLN . 0.7 OUTLIER -39.33 -60.93 0.85 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.91 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 69' ' ' LEU . 9.9 mm100 -35.44 -47.73 0.45 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.412 ' O ' ' C ' ' A' ' 72' ' ' LYS . 8.1 tm0? -65.62 -49.97 66.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 71' ' ' GLN . 5.7 mmpt? -36.89 -66.59 0.22 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 56.6 mt -48.69 -50.76 31.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.9 t -40.8 -46.05 2.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 35.8 m-20 -68.12 -55.3 12.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 44.0 m95 -42.12 -49.22 4.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.931 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -48.64 -44.45 29.84 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.508 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 12.2 m170 -67.55 -33.62 75.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.86 0.362 . . . . 0.0 110.918 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 5.3 tp -72.99 -10.11 59.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.911 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.4 ' CG ' HD11 ' A' ' 84' ' ' LEU . 35.0 t-20 -88.2 -28.86 20.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 70.2 mtt180 -109.37 0.02 19.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 30.0 mmtt -110.65 -36.31 5.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 85.3 t -110.71 -69.95 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.138 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 87' ' ' LEU . 82.8 mt -41.59 -61.7 1.02 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 14.7 tptp -41.91 -50.55 4.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -62.57 -31.33 72.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.87 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.429 ' N ' ' O ' ' A' ' 84' ' ' LEU . 13.1 mt -96.44 29.18 2.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 42.33 34.12 0.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -109.22 140.89 42.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 53.3 m -132.57 132.3 42.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 10.5 t -129.83 131.22 23.38 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.672 0.748 . . . . 0.0 111.094 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.459 ' HG2' ' CG2' ' A' ' 95' ' ' VAL . 53.9 Cg_endo -69.7 148.01 64.48 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.669 2.246 . . . . 0.0 112.381 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -61.49 -34.06 74.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.834 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -58.66 -37.14 75.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.825 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.459 ' CG2' ' HG2' ' A' ' 92' ' ' PRO . 18.6 t -72.72 -42.91 61.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.141 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 5.4 mtm -58.04 -45.75 86.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 26.7 mtt-85 -47.73 -41.0 21.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 22.7 mtpt -72.71 -45.77 57.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.948 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 60.7 mt -51.58 -46.22 36.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.124 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.74 -22.91 65.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.094 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -81.46 1.2 34.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . 0.46 ' SG ' ' CB ' ' A' ' 41' ' ' SER . 12.7 m 61.76 48.54 5.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -87.76 139.25 31.2 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.594 0.711 . . . . 0.0 111.124 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 124.05 10.68 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.645 2.23 . . . . 0.0 112.348 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.427 ' O ' ' C ' ' A' ' 106' ' ' VAL . . . 100.76 -60.47 0.64 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.478 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.427 ' C ' ' O ' ' A' ' 105' ' ' GLY . 44.1 t -33.72 -73.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.896 0.379 . . . . 0.0 111.118 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.426 HG11 ' N ' ' A' ' 108' ' ' GLU . 10.8 p -44.7 -49.75 2.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.161 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.426 ' N ' HG11 ' A' ' 107' ' ' VAL . 26.7 mt-10 -52.53 -45.96 66.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.919 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 18.6 mt -53.64 -16.95 1.82 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 82.5 t -105.57 -19.64 6.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.102 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 46.9 mt -82.7 -40.72 20.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.514 ' N ' ' HD2' ' A' ' 113' ' ' PRO . 3.8 mt -50.14 -57.95 11.14 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.639 0.733 . . . . 0.0 111.166 179.806 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.514 ' HD2' ' N ' ' A' ' 112' ' ' ILE . 54.1 Cg_endo -69.73 -22.44 32.21 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.724 2.282 . . . . 0.0 112.353 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 22.3 tp -55.69 -60.47 3.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.471 ' HD2' ' N ' ' A' ' 116' ' ' GLN . 6.1 ppt_? -59.3 -39.95 84.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.471 ' N ' ' HD2' ' A' ' 115' ' ' ARG . 10.9 mt-30 -51.58 -18.95 1.29 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.947 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 23.2 mmm180 -96.9 -49.59 4.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.901 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 66.9 mt -59.19 -40.68 86.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -68.97 -22.48 64.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.498 ' N ' ' OE1' ' A' ' 120' ' ' GLU . 0.0 OUTLIER -83.29 -40.84 19.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.858 -179.914 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 20.9 mtp85 -72.55 -44.35 62.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -40.52 -53.22 2.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -78.29 -42.98 29.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.903 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 20.1 mtt-85 -63.14 120.47 11.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 24.4 mmt180 -98.56 -28.41 13.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 1.2 mppt? -94.2 131.77 39.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 179.972 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.5 p -107.37 160.93 15.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.925 0.393 . . . . 0.0 110.832 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 m -159.22 165.25 34.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.877 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.86 116.05 0.35 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.472 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 m -77.4 -51.26 11.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.876 0.369 . . . . 0.0 110.853 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.0 m -54.71 102.89 0.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.847 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.43 94.57 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.471 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.9 ttt -146.39 121.3 9.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.813 0.34 . . . . 0.0 110.841 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -123.19 173.57 7.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.107 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 58.0 m -76.56 -56.91 4.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.865 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 49.0 m -87.51 175.21 8.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.886 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.405 ' O ' ' CG1' ' A' ' 12' ' ' VAL . 25.7 t -84.98 36.78 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.086 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -45.98 172.5 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -49.8 -31.59 12.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.884 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -64.4 -45.83 85.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.09 -42.02 97.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.091 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 21.4 mt -63.39 -48.59 77.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.481 ' O ' ' N ' ' A' ' 21' ' ' TYR . 2.3 t-160 -41.46 -59.45 1.58 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.809 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' A' ' 18' ' ' HIS . 57.0 mm-40 -35.27 -41.68 0.17 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.7 tp -73.77 -43.35 59.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.481 ' N ' ' O ' ' A' ' 18' ' ' HIS . 16.5 m-85 -61.94 -53.53 54.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.928 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 70.7 mt -48.08 -52.2 21.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.905 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.513 ' CD2' ' HD2' ' A' ' 115' ' ' ARG . 4.8 t90 -43.35 -56.34 3.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 94.5 t -50.88 -61.01 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.112 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -45.68 -51.42 12.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -45.44 -29.84 1.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.497 ' CG2' ' HD2' ' A' ' 28' ' ' PRO . 28.0 mt -67.92 137.1 92.24 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.632 0.729 . . . . 0.0 111.084 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.509 ' O ' ' C ' ' A' ' 29' ' ' LEU . 53.9 Cg_endo -69.77 10.99 0.43 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.677 2.251 . . . . 0.0 112.343 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.509 ' C ' ' O ' ' A' ' 28' ' ' PRO . 77.7 mt -29.09 95.5 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 28' ' ' PRO . 84.1 p -71.43 75.14 0.76 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 58.5 mtp85 -153.21 152.94 28.79 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.604 0.716 . . . . 0.0 110.875 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 158.22 57.63 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.655 2.237 . . . . 0.0 112.348 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.444 ' HD3' ' N ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -106.51 123.33 47.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.936 179.908 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 -132.24 -53.75 0.97 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.84 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -164.4 120.21 1.53 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.8 tp -68.32 -58.47 4.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 15.7 t -39.83 -31.43 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.434 ' O ' ' C ' ' A' ' 39' ' ' ASP . 21.3 tpp180 -90.76 -67.91 0.82 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 38' ' ' ARG . 88.1 m-20 -35.26 -42.17 0.19 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -80.23 -44.41 19.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.8 m -52.28 -36.0 51.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.842 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.435 ' OD1' ' CG2' ' A' ' 44' ' ' VAL . 5.1 t0 -67.93 -38.72 83.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.829 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 100.86 -42.05 2.02 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.516 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.435 ' CG2' ' OD1' ' A' ' 42' ' ' ASP . 90.9 t -44.7 -37.18 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.857 0.36 . . . . 0.0 111.112 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.55 -45.75 61.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.968 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 93.2 t -45.29 -41.62 2.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.113 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.41 ' CB ' ' HE2' ' A' ' 60' ' ' MET . . . -55.38 -52.93 61.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.058 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -46.54 -39.59 11.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.883 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 62.5 t -60.15 -38.29 76.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.137 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 23.6 mt -66.72 -29.75 47.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.112 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.433 ' HA ' ' CG2' ' A' ' 58' ' ' VAL . 19.1 tptm -50.52 -40.34 51.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -59.04 -27.13 65.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.87 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.542 ' CD2' ' HB3' ' A' ' 118' ' ' LEU . 66.3 m-85 -96.46 -67.21 0.86 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.963 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -133.33 129.51 20.76 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.648 0.737 . . . . 0.0 110.831 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -51.06 0.41 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.718 2.279 . . . . 0.0 112.345 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.8 ptmt -57.1 -27.98 62.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 74.7 mmm -72.17 -32.55 66.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.433 ' CG2' ' HA ' ' A' ' 51' ' ' LYS . 85.1 t -55.05 -68.88 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.124 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 61.05 52.74 3.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.41 ' HE2' ' CB ' ' A' ' 47' ' ' ALA . 11.5 mmt -89.38 48.37 1.6 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.859 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 40.6 t-80 -120.46 -49.55 2.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.828 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.496 ' OD1' ' N ' ' A' ' 63' ' ' TYR . 7.3 p30 -68.23 -51.42 45.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.496 ' N ' ' OD1' ' A' ' 62' ' ' ASN . 36.4 m-85 -57.9 154.6 11.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.417 HG12 ' N ' ' A' ' 65' ' ' PRO . 84.7 t -145.55 136.96 12.75 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.638 0.732 . . . . 0.0 111.144 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.417 ' N ' HG12 ' A' ' 64' ' ' VAL . 54.1 Cg_endo -69.75 114.2 3.62 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.714 2.276 . . . . 0.0 112.333 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -120.77 154.15 36.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.101 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -105.45 37.51 2.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 68.8 p -132.43 129.59 39.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.827 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.411 ' C ' ' CD1' ' A' ' 69' ' ' LEU . 0.7 OUTLIER -49.48 -57.34 7.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.943 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -38.69 -55.57 1.44 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.427 ' O ' ' C ' ' A' ' 72' ' ' LYS . 33.1 tp60 -58.17 -52.38 65.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.892 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 71' ' ' GLN . 13.1 mmtp -36.03 -56.12 0.74 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.88 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 15.8 mt -60.32 -43.17 96.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.924 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.9 t -47.47 -60.47 2.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 11.3 m-20 -45.24 -56.18 5.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.86 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 40.7 m95 -47.02 -59.45 3.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.93 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -40.4 -41.13 2.15 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.515 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 34.6 m-70 -73.88 -47.02 41.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.801 0.334 . . . . 0.0 110.838 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.3 tp -58.96 -11.39 3.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.944 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 52.8 t-20 -84.35 -35.87 22.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 87.8 mtm180 -107.92 0.67 22.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -109.73 -29.74 8.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.935 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 53.8 t -116.75 -74.38 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.14 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.481 ' O ' ' N ' ' A' ' 87' ' ' LEU . 77.5 mt -38.97 -51.32 1.79 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 84' ' ' LEU . 28.6 tttm -36.76 -49.97 0.81 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.933 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 23.4 mmt180 -56.05 -40.0 72.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.481 ' N ' ' O ' ' A' ' 84' ' ' LEU . 17.6 mt -85.47 27.47 0.82 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 38.6 t30 41.01 30.49 0.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.937 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -103.79 136.51 43.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.921 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 79.2 p -128.75 145.27 51.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.466 ' CG1' ' HB ' ' A' ' 95' ' ' VAL . 91.2 t -142.14 136.4 14.94 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.642 0.734 . . . . 0.0 111.104 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 155.78 64.85 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.63 2.22 . . . . 0.0 112.321 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -62.17 -20.03 63.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.897 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -71.07 -43.76 67.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.466 ' HB ' ' CG1' ' A' ' 91' ' ' VAL . 26.0 t -64.75 -28.79 45.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.115 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 10.3 mtm -73.23 -51.03 19.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 88.4 mtt180 -45.97 -40.2 10.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 72.6 mttt -64.49 -56.26 15.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 77.8 mt -48.59 -56.73 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.154 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -59.63 -19.41 49.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 32.3 mm-40 -90.75 24.86 2.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 79.9 m 41.52 39.47 1.09 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -82.13 126.6 74.24 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.531 0.681 . . . . 0.0 111.159 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 134.46 28.03 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.672 2.248 . . . . 0.0 112.314 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 73.33 44.33 34.82 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.5 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 46.1 t -134.04 -59.24 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.822 0.344 . . . . 0.0 111.087 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 10.1 p -61.97 -37.81 79.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.134 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 55.9 mp0 -58.18 -38.41 76.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 19.6 mt -57.45 -19.23 22.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 46.3 t -104.35 -16.0 7.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.121 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 72.6 mt -84.63 -31.77 24.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.939 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.53 ' N ' ' HD2' ' A' ' 113' ' ' PRO . 4.7 mt -59.38 -57.44 26.97 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.6 0.714 . . . . 0.0 111.074 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.53 ' HD2' ' N ' ' A' ' 112' ' ' ILE . 53.6 Cg_endo -69.73 -26.58 27.58 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.652 2.235 . . . . 0.0 112.342 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 6.8 tp -63.97 -56.13 17.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.94 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.513 ' HD2' ' CD2' ' A' ' 23' ' ' TRP . 44.9 ttt-85 -56.86 -43.69 81.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.839 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 -51.63 -43.59 62.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 60.3 mmt-85 -69.9 -45.64 67.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.542 ' HB3' ' CD2' ' A' ' 53' ' ' TYR . 25.3 mt -52.16 -50.67 61.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -57.4 -38.06 73.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -59.82 -49.86 76.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.84 -41.46 82.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -38.4 -55.26 1.39 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 6.1 ptp180 -119.18 153.36 35.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 12.9 mmm-85 -128.69 159.6 35.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 20.2 ttm180 -137.28 158.13 45.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.837 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 60.8 mttm 57.4 41.7 25.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.944 179.959 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.542 -0.223 . . . . 0.0 112.542 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.2 m -44.93 134.87 5.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.895 0.379 . . . . 0.0 110.827 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.1 t -101.07 -53.55 3.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.834 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.53 104.76 0.18 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.494 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.0 p -143.82 135.02 25.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.835 0.35 . . . . 0.0 110.877 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -173.98 126.45 0.37 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 59.05 54.37 38.56 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.517 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 20.4 mtp -138.75 148.27 43.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.827 0.346 . . . . 0.0 110.838 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.36 147.93 43.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.106 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.2 m -53.66 143.98 18.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.6 t -115.11 161.59 18.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.863 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.456 HG13 ' CB ' ' A' ' 16' ' ' ALA . 16.6 t 61.85 36.0 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.189 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -51.71 175.38 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -43.39 -46.17 6.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.879 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -45.36 -43.13 10.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.456 ' CB ' HG13 ' A' ' 12' ' ' VAL . . . -48.06 -49.27 32.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.092 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 46.9 mt -43.72 -49.47 7.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -46.7 -53.57 11.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 74.3 mm-40 -45.29 -42.38 9.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.444 HD12 ' CB ' ' A' ' 111' ' ' LEU . 5.4 tp -67.07 -30.52 70.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -71.12 -21.57 62.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 63.5 mt -80.33 -46.14 16.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.924 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 3.8 t90 -45.67 -60.91 1.94 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 74.2 t -46.55 -42.5 5.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.144 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -43.38 -46.28 6.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 23.1 t30 -53.27 -52.89 57.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 27.5 mt -74.61 124.76 89.94 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.604 0.716 . . . . 0.0 111.149 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 93.04 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.704 2.27 . . . . 0.0 112.283 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 13.2 mt -104.33 77.94 1.45 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 31' ' ' ARG . 29.7 t -81.74 -36.19 28.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.48 ' N ' ' HD2' ' A' ' 32' ' ' PRO . 11.6 ttm-85 -36.05 -59.76 0.76 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.594 0.711 . . . . 0.0 110.878 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.499 ' O ' ' C ' ' A' ' 33' ' ' LYS . 54.0 Cg_endo -69.78 -30.09 22.75 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.66 2.24 . . . . 0.0 112.372 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.499 ' C ' ' O ' ' A' ' 32' ' ' PRO . 0.0 OUTLIER 30.4 39.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.89 179.914 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.491 ' N ' ' O ' ' A' ' 32' ' ' PRO . 1.1 tpt180 -153.32 165.2 36.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.897 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.464 ' C ' ' O ' ' A' ' 34' ' ' ARG . 25.7 m120 -32.94 141.16 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.454 ' HB3' ' CE2' ' A' ' 40' ' ' PHE . 2.7 mp -68.25 -49.1 62.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 20.9 t -49.31 -63.24 1.16 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.829 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.411 ' O ' ' CB ' ' A' ' 41' ' ' SER . 64.5 mtt180 -50.55 -68.42 0.17 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.834 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.498 ' O ' ' N ' ' A' ' 41' ' ' SER . 57.2 m-20 -42.91 -61.03 1.39 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.827 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.454 ' CE2' ' HB3' ' A' ' 36' ' ' LEU . 3.3 m-85 -35.24 -31.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' ' 39' ' ' ASP . 30.0 t -42.73 -48.01 5.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.81 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.53 132.91 38.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.869 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -72.89 -36.31 57.64 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.493 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 47.5 t -46.54 -42.44 5.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.844 0.354 . . . . 0.0 111.117 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.458 ' CD2' ' HB3' ' A' ' 39' ' ' ASP . 32.4 tp -64.5 -56.1 16.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.931 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 58.2 t -39.35 -41.11 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.15 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -49.38 -44.9 45.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.108 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -58.04 -38.15 75.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 95.5 t -55.99 -32.8 34.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.116 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 34.3 mt -75.47 -34.68 30.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.094 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 17.2 tptp -43.78 -45.35 7.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -53.58 -40.53 65.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.557 ' CE1' HD13 ' A' ' 118' ' ' LEU . 83.5 m-85 -81.68 -62.25 1.7 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.883 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -133.12 122.54 17.39 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.638 0.733 . . . . 0.0 110.847 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -50.96 0.42 Allowed 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.695 2.263 . . . . 0.0 112.327 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 57' ' ' MET . 29.6 mttm -53.88 -56.6 16.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.925 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.408 ' C ' ' O ' ' A' ' 56' ' ' LYS . 33.5 mmm -36.74 -36.85 0.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 43.6 t -81.47 132.37 31.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.108 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -133.24 99.39 4.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 8.5 mmt -95.18 55.6 1.8 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 8.7 m80 -128.68 -30.5 2.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.408 ' OD1' ' CD1' ' A' ' 63' ' ' TYR . 5.0 p30 -94.49 -57.75 2.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.408 ' CD1' ' OD1' ' A' ' 62' ' ' ASN . 24.5 m-85 -56.26 155.28 6.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.932 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.474 ' CG1' ' HD2' ' A' ' 65' ' ' PRO . 87.2 t -148.66 138.7 12.93 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.591 0.71 . . . . 0.0 111.164 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.474 ' HD2' ' CG1' ' A' ' 64' ' ' VAL . 53.6 Cg_endo -69.79 108.61 2.12 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.693 2.262 . . . . 0.0 112.338 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.441 ' O ' ' NZ ' ' A' ' 72' ' ' LYS . . . -125.14 161.77 26.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.083 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -118.19 25.07 10.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.85 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.1 t -118.17 130.46 56.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -39.98 -54.8 2.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.955 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -44.37 -59.29 2.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -57.86 -47.93 81.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.441 ' NZ ' ' O ' ' A' ' 66' ' ' ALA . 6.9 mmpt? -42.73 -65.63 0.45 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.426 HD12 ' CD ' ' A' ' 97' ' ' ARG . 15.2 mt -60.5 -44.88 95.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.944 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.5 t -40.45 -48.2 2.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 50.1 m-20 -63.81 -53.47 50.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.869 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.551 ' CZ2' HG22 ' A' ' 99' ' ' ILE . 60.9 m95 -46.46 -51.95 14.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.952 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -52.27 -39.79 51.73 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.48 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -70.73 -42.12 70.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.848 0.356 . . . . 0.0 110.892 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.8 tp -63.74 -22.98 67.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 37.0 t-20 -74.11 -30.71 62.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 81.2 mtt180 -105.87 3.42 28.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.913 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.9 mmmp? -118.07 -29.34 5.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.421 ' O ' ' C ' ' A' ' 84' ' ' LEU . 87.3 t -117.86 -74.68 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.141 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.462 ' O ' ' N ' ' A' ' 87' ' ' LEU . 83.2 mt -36.28 -60.73 0.55 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.963 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 84' ' ' LEU . 0.0 OUTLIER -35.88 -56.69 0.7 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.842 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 13.5 mmm180 -54.05 -40.29 67.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.897 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.462 ' N ' ' O ' ' A' ' 84' ' ' LEU . 16.1 mt -86.48 29.58 0.77 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.944 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 40.18 37.52 0.42 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -111.86 142.08 44.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.848 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 89.7 p -142.02 148.11 37.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.826 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.474 ' CG1' ' HD2' ' A' ' 92' ' ' PRO . 93.0 t -151.37 138.82 12.31 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.618 0.723 . . . . 0.0 111.106 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.474 ' HD2' ' CG1' ' A' ' 91' ' ' VAL . 53.9 Cg_endo -69.8 166.03 29.03 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.697 2.265 . . . . 0.0 112.358 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.18 -48.69 67.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -43.03 -42.74 3.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.401 ' CG2' ' HG2' ' A' ' 92' ' ' PRO . 71.4 t -70.03 -40.62 78.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.162 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 5.5 mtm -60.95 -53.7 54.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.841 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.426 ' CD ' HD12 ' A' ' 73' ' ' LEU . 22.7 mmm-85 -42.96 -52.35 5.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.84 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 34.0 mttm -54.47 -45.46 73.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.551 HG22 ' CZ2' ' A' ' 76' ' ' TRP . 87.8 mt -54.29 -55.6 13.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -61.47 -14.44 28.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.105 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 22.5 mm-40 -95.73 11.28 34.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.936 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 51.3 m 57.32 54.2 6.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.465 ' HB1' ' CG2' ' A' ' 106' ' ' VAL . . . -90.2 125.21 60.99 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.59 0.71 . . . . 0.0 111.115 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 132.8 24.02 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.716 2.277 . . . . 0.0 112.359 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 82.81 -13.52 42.48 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.497 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.465 ' CG2' ' HB1' ' A' ' 103' ' ' ALA . 89.0 t -79.58 -72.63 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.901 0.382 . . . . 0.0 111.131 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 3.5 p -49.55 -38.07 12.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.114 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.423 ' HG2' ' CD2' ' A' ' 20' ' ' LEU . 41.4 mt-10 -56.57 -45.51 81.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 12.1 mt -48.67 -24.41 1.36 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.933 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 11.3 t -96.8 -23.58 4.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.144 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.444 ' CB ' HD12 ' A' ' 20' ' ' LEU . 93.2 mt -78.72 -42.79 27.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.512 ' N ' ' HD2' ' A' ' 113' ' ' PRO . 2.9 mt -42.92 -58.36 4.02 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.597 0.713 . . . . 0.0 111.12 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.512 ' HD2' ' N ' ' A' ' 112' ' ' ILE . 53.6 Cg_endo -69.75 -35.93 11.75 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.644 2.229 . . . . 0.0 112.358 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 6.2 tp -41.38 -63.63 0.67 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.408 ' HD3' ' C ' ' A' ' 115' ' ' ARG . 0.0 OUTLIER -53.64 -45.35 70.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 179.926 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -55.01 -35.42 64.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 11.7 mmp_? -75.31 -52.07 11.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.884 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.557 HD13 ' CE1' ' A' ' 53' ' ' TYR . 60.8 mt -49.79 -36.86 27.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.952 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -56.53 -52.68 63.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -60.89 -46.11 91.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.425 ' HG3' ' CD2' ' A' ' 87' ' ' LEU . 10.8 mmm180 -52.69 -39.97 62.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -63.36 -74.65 0.09 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.915 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 -129.05 157.49 41.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 56.5 mtm-85 -134.96 157.1 47.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.824 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 14.1 mmm180 -69.87 130.93 43.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.832 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 21.5 tptt -153.63 128.23 9.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.955 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.0 m 54.94 41.75 31.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.933 0.397 . . . . 0.0 110.907 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.6 p -128.42 141.65 51.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.873 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.21 118.28 4.21 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.475 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.9 p -147.09 139.55 24.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.868 0.366 . . . . 0.0 110.896 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.0 t -169.88 161.72 9.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 124.63 154.36 8.82 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.499 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.3 ptm -49.98 155.86 0.85 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.784 0.326 . . . . 0.0 110.901 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -50.52 139.89 15.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.071 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 9.4 t -166.44 -178.76 4.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.8 t -39.8 160.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.868 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 88.2 t -40.95 135.14 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.083 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -123.64 171.03 9.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -49.66 -46.95 50.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -48.61 -44.54 37.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.04 -37.83 86.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.125 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 42.8 mt -60.13 -34.78 74.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 4.7 t-160 -64.61 -56.67 12.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.857 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 47.3 mm-40 -42.27 -42.0 2.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.875 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.1 tp -69.68 -39.43 76.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.924 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.528 ' CE1' HD11 ' A' ' 36' ' ' LEU . 17.8 m-85 -65.77 -51.16 61.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.935 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.2 mt -53.98 -51.95 62.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.876 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.55 ' CZ2' ' HB3' ' A' ' 115' ' ' ARG . 4.3 t90 -40.17 -45.26 1.99 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.409 HG22 ' CE3' ' A' ' 23' ' ' TRP . 58.1 t -79.45 -50.13 18.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.103 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 52.2 m-20 -41.95 -42.05 2.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -61.9 -48.27 81.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 90.5 mt -64.46 126.21 90.13 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.646 0.736 . . . . 0.0 111.111 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 100.88 0.85 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.662 2.242 . . . . 0.0 112.331 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 28.4 mt -111.29 106.3 15.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.9 m -56.97 87.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.838 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.9 mtp85 -163.62 157.5 16.58 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.646 0.736 . . . . 0.0 110.846 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 179.1 3.92 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.666 2.244 . . . . 0.0 112.347 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.66 53.1 0.93 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.433 ' O ' ' C ' ' A' ' 35' ' ' ASN . 6.7 tpt85 -90.34 155.63 18.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.885 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.433 ' C ' ' O ' ' A' ' 34' ' ' ARG . 11.9 m120 -34.13 139.99 0.07 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.528 HD11 ' CE1' ' A' ' 21' ' ' TYR . 13.7 mt -72.6 -14.81 61.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 48.3 t -68.38 -44.85 74.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 44.5 ttt85 -90.96 -46.51 8.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.862 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 37.5 t0 -44.33 -43.16 7.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.548 ' CD1' HD11 ' A' ' 111' ' ' LEU . 13.4 m-85 -85.77 -33.59 21.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.862 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.7 t -41.48 -33.7 0.46 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.866 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -83.84 123.09 29.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.893 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.83 -21.64 75.19 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.505 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 24.5 t -54.32 -18.19 2.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.841 0.353 . . . . 0.0 111.14 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 22.7 tp -99.65 -48.26 4.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.936 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 78.3 t -45.41 -37.85 2.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.161 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.62 -44.65 95.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.097 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -51.54 -50.23 60.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 90.0 t -45.4 -45.79 3.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.13 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 56.5 mt -60.92 -35.64 66.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.141 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 7.7 tptm -45.81 -55.87 6.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.94 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -45.43 -47.13 13.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -74.88 -67.29 0.66 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.94 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.411 ' HA ' ' HD2' ' A' ' 55' ' ' PRO . 25.5 m-85 -124.62 105.68 30.1 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.65 0.738 . . . . 0.0 110.894 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 54' ' ' PHE . 53.2 Cg_endo -69.78 -47.83 0.84 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.697 2.265 . . . . 0.0 112.325 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 42.4 mtpt -55.64 -44.51 77.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 64.5 mmm -55.92 -38.18 69.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.909 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 56.0 t -72.45 124.8 29.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.13 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -130.79 48.41 2.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.406 ' O ' ' N ' ' A' ' 62' ' ' ASN . 17.0 mtp -55.61 -19.19 9.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -43.25 -23.94 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.406 ' N ' ' O ' ' A' ' 60' ' ' MET . 67.3 m-20 -98.27 -40.42 8.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.863 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -72.41 141.92 48.68 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.933 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.441 ' CG1' ' HD2' ' A' ' 65' ' ' PRO . 98.0 t -140.99 138.37 17.94 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.643 0.735 . . . . 0.0 111.152 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.441 ' HD2' ' CG1' ' A' ' 64' ' ' VAL . 53.8 Cg_endo -69.73 110.57 2.58 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.645 2.23 . . . . 0.0 112.374 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -118.79 124.86 48.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.085 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -55.03 -32.22 61.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 50.7 m -63.1 139.97 58.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.441 ' O ' ' C ' ' A' ' 70' ' ' GLN . 1.0 OUTLIER -69.55 -57.64 4.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.93 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.441 ' C ' ' O ' ' A' ' 69' ' ' LEU . 78.2 mt-30 -34.58 -45.26 0.23 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 22.0 tp60 -57.98 -54.11 50.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.957 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.4 mmpt? -41.67 -60.36 1.37 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.894 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 14.6 mt -52.62 -48.66 66.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.896 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 4.2 t -53.45 -41.38 66.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.845 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -66.66 -56.31 11.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.546 ' CZ2' HG23 ' A' ' 99' ' ' ILE . 40.0 m95 -45.0 -51.27 10.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.914 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -49.56 -39.69 30.64 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.47 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 40.2 m170 -69.77 -44.59 69.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.821 0.343 . . . . 0.0 110.824 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.7 tp -59.66 -16.53 27.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 54.0 t-20 -79.61 -37.88 35.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 30.9 mtm180 -102.84 4.76 38.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 30.0 mmtt -116.65 -34.62 4.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 96.4 t -112.06 -74.73 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.422 ' O ' ' N ' ' A' ' 87' ' ' LEU . 24.3 mt -43.03 -42.75 3.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 6.3 tmtm? -44.43 -46.9 9.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.929 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 -74.71 -20.19 59.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.422 ' N ' ' O ' ' A' ' 84' ' ' LEU . 65.2 mt -96.27 20.32 10.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 44.25 31.28 0.54 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -111.75 131.25 55.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.838 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 82.8 p -121.07 150.71 40.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 13.4 t -152.15 130.24 6.1 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.594 0.711 . . . . 0.0 111.157 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 176.47 6.72 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.722 2.281 . . . . 0.0 112.335 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -79.57 -41.43 27.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.854 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 9.3 p30 -50.0 -34.82 22.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 54.8 t -79.09 -36.44 18.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.157 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 5.5 mtm -67.44 -51.13 55.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 33.7 mtp180 -43.64 -46.44 7.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 68.7 mttt -63.2 -44.76 94.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.546 HG23 ' CZ2' ' A' ' 76' ' ' TRP . 91.4 mt -52.35 -52.42 25.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.161 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.2 -23.61 64.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.058 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 -81.25 12.46 3.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.949 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 64.0 m 54.0 46.91 24.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -98.32 121.36 57.16 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.561 0.696 . . . . 0.0 111.143 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 151.7 69.24 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.676 2.251 . . . . 0.0 112.343 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 76.21 15.18 81.62 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.506 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 51.0 t -118.87 -65.61 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.883 0.373 . . . . 0.0 111.116 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 1.6 p -56.52 -35.22 43.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.137 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -59.74 -40.31 87.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 79.5 mt -52.64 -20.88 3.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.94 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 85.3 t -100.57 -23.69 4.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.154 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.548 HD11 ' CD1' ' A' ' 40' ' ' PHE . 86.4 mt -72.69 -40.75 65.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.523 ' N ' ' HD2' ' A' ' 113' ' ' PRO . 3.8 mt -53.24 -57.86 14.96 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.614 0.721 . . . . 0.0 111.138 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.523 ' HD2' ' N ' ' A' ' 112' ' ' ILE . 53.4 Cg_endo -69.84 -35.86 11.63 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.65 2.233 . . . . 0.0 112.32 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 5.9 tp -48.07 -61.55 1.92 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.914 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.55 ' HB3' ' CZ2' ' A' ' 23' ' ' TRP . 51.1 ptt85 -55.37 -43.62 75.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 39.2 mm-40 -53.13 -42.24 65.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.954 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 43.8 mmt-85 -68.1 -55.28 13.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 10.2 mt -50.2 -40.84 48.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -55.18 -52.23 63.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.86 -49.63 74.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -57.04 -36.77 70.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.854 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -42.34 -30.11 0.3 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 9.1 ptt85 -75.95 150.7 37.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -126.4 175.59 7.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 2.0 tpm_? -96.9 137.22 36.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.841 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 12.9 tptm -112.61 152.39 28.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 54.6 tp60 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.92 179.93 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.4 p -82.1 43.29 0.78 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.898 0.38 . . . . 0.0 110.861 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.8 m -157.46 173.84 16.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.82 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 154.1 -42.83 0.61 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.468 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 4' ' ' GLY . 44.0 p -37.22 153.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.875 0.369 . . . . 0.0 110.834 -179.71 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.0 p -169.4 162.62 10.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.5 132.19 10.98 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.476 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 18.5 ttp -128.5 99.53 5.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.784 0.326 . . . . 0.0 110.859 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.433 ' O ' ' C ' ' A' ' 10' ' ' SER . . . -115.53 165.51 12.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.083 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 9' ' ' ALA . 1.4 t -35.4 -46.35 0.38 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.789 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 97.1 p -123.19 135.72 54.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.848 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.44 ' CG1' ' CB ' ' A' ' 16' ' ' ALA . 90.7 t -84.23 134.17 27.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.139 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -89.27 168.52 12.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -56.85 -49.86 74.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -44.5 -39.75 5.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.44 ' CB ' ' CG1' ' A' ' 12' ' ' VAL . . . -52.54 -42.04 64.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.045 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.5 mt -56.27 -47.79 77.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.866 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.439 ' O ' ' N ' ' A' ' 21' ' ' TYR . 2.1 t-160 -41.99 -53.56 3.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 46.4 mm-40 -40.86 -41.23 1.54 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.926 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.469 ' CD2' ' HG2' ' A' ' 108' ' ' GLU . 7.2 tp -73.72 -35.72 65.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.439 ' N ' ' O ' ' A' ' 18' ' ' HIS . 22.0 m-85 -72.59 -22.67 60.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.412 HD21 ' CE1' ' A' ' 18' ' ' HIS . 10.2 mt -85.75 -41.76 14.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.904 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 4.4 t90 -53.82 -39.63 65.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.898 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.441 ' O ' ' C ' ' A' ' 25' ' ' ASP . 92.8 t -69.62 -52.49 31.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.121 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.441 ' C ' ' O ' ' A' ' 24' ' ' VAL . 2.4 t70 -35.01 -52.3 0.55 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 35.9 t30 -38.32 -53.43 1.49 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 25.8 mt -66.44 129.98 94.16 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.609 0.718 . . . . 0.0 111.156 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 96.15 0.58 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.669 2.246 . . . . 0.0 112.357 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.48 ' O ' ' N ' ' A' ' 31' ' ' ARG . 11.5 mt -127.15 -54.74 1.37 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 19.7 m 39.42 25.75 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.512 ' N ' ' HD2' ' A' ' 32' ' ' PRO . 11.8 ttm-85 -59.41 -58.76 17.07 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.555 0.693 . . . . 0.0 110.888 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.512 ' HD2' ' N ' ' A' ' 31' ' ' ARG . 53.6 Cg_endo -69.79 120.98 7.67 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.648 2.232 . . . . 0.0 112.362 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.458 ' HD2' ' N ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -82.8 -2.32 54.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.458 ' N ' ' HD2' ' A' ' 33' ' ' LYS . 16.3 ttt180 -126.22 -70.34 0.73 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.864 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -143.56 157.5 44.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.501 HD13 ' CD1' ' A' ' 40' ' ' PHE . 4.1 pp -90.52 -43.99 9.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.6 t -46.87 -23.41 0.44 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.443 ' HA ' ' NE ' ' A' ' 38' ' ' ARG . 8.4 tpm_? -88.38 -35.56 17.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.43 ' O ' ' C ' ' A' ' 40' ' ' PHE . 8.9 t0 -75.3 -58.39 3.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.501 ' CD1' HD13 ' A' ' 36' ' ' LEU . 10.0 m-85 -35.46 -54.68 0.67 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.849 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 40' ' ' PHE . 42.6 t -37.09 -45.23 0.59 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 -179.791 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.546 ' CG ' ' N ' ' A' ' 43' ' ' GLY . 0.3 OUTLIER -43.73 -55.44 4.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 179.927 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.546 ' N ' ' CG ' ' A' ' 42' ' ' ASP . . . 117.59 -39.12 2.72 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.479 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.416 ' N ' ' OD2' ' A' ' 42' ' ' ASP . 22.0 t -62.34 -40.98 89.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.843 0.354 . . . . 0.0 111.13 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.417 HD23 ' N ' ' A' ' 40' ' ' PHE . 4.9 tp -63.91 -43.22 96.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.909 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 95.9 t -50.16 -47.88 24.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.137 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -50.44 -54.04 25.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.083 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -45.73 -48.52 15.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.861 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 89.9 t -50.2 -54.66 7.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.156 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 92.9 mt -50.37 -44.17 23.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.168 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.471 ' CD ' ' HA ' ' A' ' 55' ' ' PRO . 4.0 tppp? -38.61 -58.42 1.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.411 ' C ' ' O ' ' A' ' 51' ' ' LYS . 27.7 t80 -37.62 -52.62 1.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 58.0 m-85 -73.13 -54.64 7.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.954 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -129.96 97.52 23.38 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.635 0.731 . . . . 0.0 110.9 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.471 ' HA ' ' CD ' ' A' ' 51' ' ' LYS . 53.4 Cg_endo -69.7 -22.04 32.92 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.731 2.287 . . . . 0.0 112.344 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.401 ' HG3' ' N ' ' A' ' 57' ' ' MET . 16.0 pttp -78.87 -31.41 45.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.401 ' N ' ' HG3' ' A' ' 56' ' ' LYS . 21.2 mmm -64.28 -49.54 71.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.413 HG12 ' N ' ' A' ' 59' ' ' GLU . 93.2 t -76.33 139.09 19.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.115 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.413 ' N ' HG12 ' A' ' 58' ' ' VAL . 6.6 tt0 -115.61 -49.21 2.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 15.7 mmt 61.45 43.94 9.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 13.4 m170 -122.01 -34.18 3.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -95.82 -37.1 10.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.44 ' CZ ' HD11 ' A' ' 79' ' ' LEU . 52.3 m-85 -70.91 136.32 48.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 89.6 t -138.15 136.78 19.83 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.631 0.729 . . . . 0.0 111.141 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.71 97.42 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.726 2.284 . . . . 0.0 112.378 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -116.81 166.95 11.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.103 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -101.78 -40.09 7.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 16.2 m -46.06 140.83 3.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 32.9 tp -62.35 -47.72 82.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.914 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -51.57 -47.57 63.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -56.37 -52.04 66.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.431 ' NZ ' ' HA ' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -45.13 -67.74 0.26 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.47 ' HG ' ' CB ' ' A' ' 100' ' ' ALA . 13.6 mt -52.78 -50.33 63.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.553 ' O ' ' CE1' ' A' ' 78' ' ' HIS . 2.5 t -46.39 -36.2 6.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.871 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 -76.82 -47.6 20.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 37.3 m95 -56.65 -54.6 44.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.896 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -43.33 -41.03 4.92 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.475 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.553 ' CE1' ' O ' ' A' ' 74' ' ' SER . 0.3 OUTLIER -67.86 -49.81 59.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.86 0.362 . . . . 0.0 110.825 -179.929 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.44 HD11 ' CZ ' ' A' ' 63' ' ' TYR . 1.9 tp -56.28 -13.16 1.95 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.46 ' HA ' ' CD1' ' A' ' 84' ' ' LEU . 35.0 t-20 -82.48 -23.66 34.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 41.4 mtp180 -111.79 -19.57 12.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -92.49 -33.35 14.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.461 ' O ' ' C ' ' A' ' 84' ' ' LEU . 72.7 t -112.67 -76.5 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.121 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.461 ' C ' ' O ' ' A' ' 83' ' ' VAL . 73.7 mt -33.53 -53.07 0.41 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.933 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 12.1 tptp -43.15 -51.37 5.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 14.9 mmt85 -59.74 -31.08 69.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 9.6 mt -91.75 27.13 2.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.94 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 1.6 t30 41.38 34.88 0.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -108.54 161.36 15.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 22.8 p -154.81 131.65 10.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.469 ' CG1' ' HD2' ' A' ' 92' ' ' PRO . 84.3 t -127.58 138.63 33.25 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.608 0.718 . . . . 0.0 111.142 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.469 ' HD2' ' CG1' ' A' ' 91' ' ' VAL . 54.2 Cg_endo -69.72 159.19 54.38 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.685 2.257 . . . . 0.0 112.345 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -68.5 -15.96 63.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -75.64 -44.03 44.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.869 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 18.4 t -64.17 -28.95 46.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.101 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 6.7 mtm -67.55 -48.7 66.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 65.7 mmt-85 -48.54 -38.43 20.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 21.3 mttp -68.19 -59.82 2.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.909 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 66.4 mt -46.18 -47.13 6.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.114 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.47 ' CB ' ' HG ' ' A' ' 73' ' ' LEU . . . -65.59 -27.88 68.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.09 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 51.7 mm-40 -80.38 6.52 11.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 32.8 m 60.45 53.59 4.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.933 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -96.09 123.75 54.13 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.562 0.696 . . . . 0.0 111.088 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 121.22 7.91 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.645 2.23 . . . . 0.0 112.348 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 112.92 -57.33 0.44 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.478 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 45.0 t -46.49 -52.74 3.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.91 0.386 . . . . 0.0 111.154 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.455 ' CG1' ' N ' ' A' ' 108' ' ' GLU . 10.7 p -63.47 -48.38 87.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.111 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.469 ' HG2' ' CD2' ' A' ' 20' ' ' LEU . 9.7 tm-20 -53.6 -41.93 67.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 69.7 mt -58.25 -23.93 57.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 5.6 t -92.0 -26.9 4.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.104 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.41 HD11 ' CD2' ' A' ' 40' ' ' PHE . 77.2 mt -73.44 -36.8 65.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.918 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.52 ' N ' ' HD2' ' A' ' 113' ' ' PRO . 3.8 mt -56.11 -57.81 20.12 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.597 0.713 . . . . 0.0 111.142 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.52 ' HD2' ' N ' ' A' ' 112' ' ' ILE . 53.0 Cg_endo -69.82 -38.75 7.24 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.654 2.236 . . . . 0.0 112.314 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 9.3 tp -48.37 -46.9 37.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.919 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 30.3 ttt180 -63.53 -46.35 86.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.909 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -46.58 -38.81 10.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.422 ' O ' ' C ' ' A' ' 118' ' ' LEU . 22.6 mmm180 -72.92 -55.41 6.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.422 ' C ' ' O ' ' A' ' 117' ' ' ARG . 29.5 mt -36.2 -43.25 0.34 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -74.84 -44.43 49.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.903 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 117' ' ' ARG . 9.4 mt-10 -45.98 -23.13 0.26 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.868 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 43.1 mtt-85 -91.99 -43.74 9.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -47.84 -55.32 10.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.956 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 19.8 ptt85 -66.42 164.53 16.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -141.75 142.51 33.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.844 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 18.0 mmt180 -75.05 91.66 2.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.838 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 3.3 mtpm? -99.24 178.07 5.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.909 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.877 179.979 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.2 t -162.25 153.48 17.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.857 0.361 . . . . 0.0 110.84 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.9 p -139.72 176.13 8.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.89 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.08 165.77 26.84 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.518 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.6 t -70.03 112.02 6.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.924 0.392 . . . . 0.0 110.83 -179.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.5 m -134.91 145.22 48.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.841 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.09 118.84 9.05 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.494 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 27.3 mtt -79.59 93.87 5.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.796 0.332 . . . . 0.0 110.89 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -152.75 127.62 9.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.062 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 37.9 p 46.09 43.0 10.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.2 m -129.99 167.81 17.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.873 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.406 HG12 ' N ' ' A' ' 13' ' ' ASP . 63.4 t -84.21 140.2 16.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.147 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.406 ' N ' HG12 ' A' ' 12' ' ' VAL . 16.0 m-20 -85.24 172.91 10.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -68.47 -45.65 71.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -50.82 -52.39 41.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.899 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -47.6 -52.89 16.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.076 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 65.2 mt -55.71 -46.1 77.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.877 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -39.47 -55.32 1.81 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 25.6 mm100 -42.19 -44.41 3.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.863 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.0 tp -68.34 -43.73 76.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.42 ' CD1' HD13 ' A' ' 36' ' ' LEU . 16.2 m-85 -60.11 -45.01 94.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 21.4 mt -59.8 -38.73 82.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.909 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.463 ' CZ2' ' HB2' ' A' ' 115' ' ' ARG . 12.3 t90 -55.7 -34.23 64.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.428 ' O ' ' C ' ' A' ' 25' ' ' ASP . 83.3 t -84.09 -49.27 16.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.124 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.432 ' OD2' ' NZ ' ' A' ' 33' ' ' LYS . 6.3 t70 -35.3 -48.35 0.46 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -47.51 -49.77 25.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 22.6 mt -70.03 119.57 72.53 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.626 0.727 . . . . 0.0 111.161 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 120.77 7.51 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.64 2.227 . . . . 0.0 112.363 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.45 ' O ' ' C ' ' A' ' 30' ' ' SER . 19.2 mt -128.93 35.52 4.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.911 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 29' ' ' LEU . 5.0 m 33.99 38.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.475 ' CG ' ' HD2' ' A' ' 32' ' ' PRO . 6.2 ttt85 -148.21 140.99 15.04 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.564 0.697 . . . . 0.0 110.884 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.475 ' HD2' ' CG ' ' A' ' 31' ' ' ARG . 53.8 Cg_endo -69.74 -175.95 1.32 Allowed 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.664 2.243 . . . . 0.0 112.339 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.446 ' O ' ' C ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -86.47 -70.31 0.61 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.937 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.446 ' C ' ' O ' ' A' ' 33' ' ' LYS . 37.4 mtt180 -33.81 149.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.903 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 68.73 55.02 0.47 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.42 HD13 ' CD1' ' A' ' 21' ' ' TYR . 11.7 mt -88.86 -37.31 15.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.9 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 46.4 t -44.16 -63.29 0.9 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.829 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 13.6 tpt180 -67.06 -55.23 15.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -37.63 -53.0 1.23 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.492 ' O ' ' N ' ' A' ' 42' ' ' ASP . 6.0 m-85 -78.11 -40.35 38.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 40' ' ' PHE . 40.2 t -35.56 -31.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.882 -179.801 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.492 ' N ' ' O ' ' A' ' 40' ' ' PHE . 1.2 p30 -93.11 99.03 11.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.898 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 42' ' ' ASP . . . -34.77 -35.22 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.456 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.423 ' N ' ' O ' ' A' ' 42' ' ' ASP . 98.8 t -38.3 -56.2 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.816 0.341 . . . . 0.0 111.089 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 20.7 tp -58.84 -46.62 87.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 94.6 t -46.75 -55.42 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.157 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -46.91 -45.64 20.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.109 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 -47.14 -52.69 14.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.926 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 87.8 t -45.6 -58.28 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.099 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 38.2 mt -43.15 -42.65 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.098 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.447 ' O ' ' C ' ' A' ' 52' ' ' PHE . 0.2 OUTLIER -42.18 -61.58 1.13 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.847 179.897 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.447 ' C ' ' O ' ' A' ' 51' ' ' LYS . 5.9 t80 -34.66 -42.36 0.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -82.32 -56.83 3.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -134.18 114.51 12.68 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.682 0.753 . . . . 0.0 110.87 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -31.77 20.07 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.696 2.264 . . . . 0.0 112.337 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 57' ' ' MET . 23.2 mtpp -70.68 -61.61 1.7 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.431 ' C ' ' O ' ' A' ' 56' ' ' LYS . 50.6 mtp -36.2 -39.25 0.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.443 HG22 ' CA ' ' A' ' 51' ' ' LYS . 85.7 t -68.57 119.28 14.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.115 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -117.34 42.77 2.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.417 ' O ' ' C ' ' A' ' 61' ' ' HIS . 11.8 tpp -55.66 -39.26 70.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.866 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.417 ' C ' ' O ' ' A' ' 60' ' ' MET . 4.5 t-160 -36.26 -34.38 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.851 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.414 ' N ' ' O ' ' A' ' 60' ' ' MET . 1.4 m-20 -87.93 -52.53 5.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 91.9 m-85 -57.02 161.2 3.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.922 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.476 ' CG1' ' HD2' ' A' ' 65' ' ' PRO . 98.5 t -152.82 138.86 11.99 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.603 0.716 . . . . 0.0 111.165 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.476 ' HD2' ' CG1' ' A' ' 64' ' ' VAL . 53.7 Cg_endo -69.75 103.27 1.13 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.69 2.26 . . . . 0.0 112.361 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -95.09 169.47 10.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.101 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 9.5 m-20 -111.79 -37.54 5.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.887 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 24.3 t -71.33 112.67 7.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 23.0 tp -38.07 -38.29 0.32 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 90.2 mm-40 -53.18 -56.89 12.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.434 ' O ' ' C ' ' A' ' 72' ' ' LYS . 36.4 tp60 -56.27 -48.11 77.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 71' ' ' GLN . 11.5 mmmm -35.78 -60.23 0.54 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.91 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 12.9 mt -49.28 -50.56 38.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 23.0 t -41.52 -46.05 3.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 27.8 m-20 -63.0 -59.88 4.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.904 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 38.1 m95 -43.95 -58.27 2.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.96 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -38.86 -57.49 1.98 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.466 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.446 ' O ' ' N ' ' A' ' 82' ' ' LYS . 33.3 m80 -53.64 -43.38 68.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.791 0.329 . . . . 0.0 110.845 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.4 tp -53.84 -25.43 19.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 59.1 t-20 -68.27 -37.15 80.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 23.6 mmm180 -110.45 1.31 18.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.834 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 78' ' ' HIS . 32.4 mmtt -104.66 -27.86 11.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.894 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.428 ' O ' ' C ' ' A' ' 84' ' ' LEU . 44.2 t -128.99 -69.29 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.132 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 83' ' ' VAL . 78.3 mt -36.26 -55.22 0.81 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 34.7 tttm -40.15 -49.71 2.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.942 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.434 ' NH1' ' HB3' ' A' ' 86' ' ' ARG . 6.0 mmm180 -56.24 -39.99 73.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.41 ' O ' ' C ' ' A' ' 88' ' ' ASN . 10.5 mt -92.86 33.01 1.18 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.943 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 87' ' ' LEU . 4.2 m120 37.09 36.4 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -105.24 134.8 47.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 57.0 p -123.6 147.31 47.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 85.7 t -149.74 125.43 5.0 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.655 0.74 . . . . 0.0 111.095 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 135.4 30.33 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.651 2.234 . . . . 0.0 112.302 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -42.56 -36.65 1.42 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -51.88 -54.7 26.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 42.5 t -57.64 -37.8 60.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.141 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 11.1 mtm -62.96 -47.77 81.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.87 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 11.5 mmm180 -45.5 -49.63 13.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.878 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.451 ' HB3' ' CB ' ' A' ' 103' ' ' ALA . 23.2 mttm -61.05 -60.98 2.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 85.4 mt -38.88 -67.63 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.122 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -49.71 -31.94 12.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.131 179.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.432 ' O ' ' C ' ' A' ' 102' ' ' CYS . 12.1 mm-40 -86.78 33.53 0.65 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . 0.432 ' C ' ' O ' ' A' ' 101' ' ' GLN . 21.8 p 34.69 38.37 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.451 ' CB ' ' HB3' ' A' ' 98' ' ' LYS . . . -55.29 162.47 2.16 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.587 0.708 . . . . 0.0 111.09 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.425 ' O ' ' C ' ' A' ' 105' ' ' GLY . 53.4 Cg_endo -69.75 114.72 3.79 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.682 2.254 . . . . 0.0 112.323 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 104' ' ' PRO . . . 36.14 81.18 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.451 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.441 ' CG2' ' HB1' ' A' ' 103' ' ' ALA . 74.9 t -134.83 -54.5 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.87 0.367 . . . . 0.0 111.189 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 12.0 p -57.76 -28.34 32.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.14 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 39.5 mp0 -61.24 -45.01 96.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 20.9 mt -48.33 -22.48 0.7 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.929 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 40.8 t -100.29 -27.23 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.164 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 81.0 mt -71.65 -43.04 66.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.514 ' N ' ' HD2' ' A' ' 113' ' ' PRO . 3.7 mt -51.09 -57.92 12.2 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.599 0.714 . . . . 0.0 111.085 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.514 ' HD2' ' N ' ' A' ' 112' ' ' ILE . 54.1 Cg_endo -69.74 -21.23 33.88 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.685 2.257 . . . . 0.0 112.377 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 7.4 tp -52.86 -54.48 33.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.463 ' HB2' ' CZ2' ' A' ' 23' ' ' TRP . 26.7 ttt180 -57.92 -45.3 86.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 11.9 mm-40 -49.84 -55.1 15.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -58.33 -50.89 72.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 35.5 mt -51.02 -46.31 61.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -47.43 -50.15 23.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -56.31 -24.44 43.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 6.8 mmt180 -88.94 -38.1 14.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -42.68 -66.01 0.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 1.4 ptm85 -46.57 -39.55 11.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . 0.412 ' NH1' ' HB2' ' A' ' 124' ' ' ARG . 27.3 mtm105 -92.78 95.32 9.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 4.9 ptt-85 -137.45 171.42 14.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.91 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 2.2 mtpm? -115.64 127.29 55.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 17.7 mm100 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 179.923 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.3 m -61.19 152.28 29.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.867 0.365 . . . . 0.0 110.853 -179.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.6 t -166.86 129.85 1.83 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.846 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.48 152.99 3.08 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.516 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.7 p -129.54 49.09 2.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.922 0.391 . . . . 0.0 110.837 -179.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 p -84.26 23.79 1.04 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.89 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.08 -144.56 8.79 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.493 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 29.4 mmt -97.55 63.94 1.79 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.837 0.351 . . . . 0.0 110.926 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -126.18 37.0 4.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.092 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.5 m -138.09 153.58 49.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.835 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.7 m -83.38 160.18 21.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.827 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 94.8 t -40.93 130.24 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.139 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -93.63 173.16 7.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.833 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -55.73 -47.83 76.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -48.77 -46.65 41.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.29 -39.77 74.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.143 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 41.9 mt -59.54 -49.66 76.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 12.9 t-160 -39.0 -53.29 1.77 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.866 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 28.5 mm100 -43.11 -41.84 3.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.855 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.41 HD22 ' CD ' ' A' ' 108' ' ' GLU . 20.7 tp -68.95 -37.19 78.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.546 ' CE1' ' OE1' ' A' ' 108' ' ' GLU . 10.6 m-85 -63.06 -41.33 99.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.943 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.464 ' O ' ' N ' ' A' ' 25' ' ' ASP . 14.0 mt -60.31 -52.75 63.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.892 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.415 ' HA ' ' ND2' ' A' ' 26' ' ' ASN . 20.0 t90 -39.32 -41.5 0.92 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.921 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 79.4 t -68.9 -38.48 78.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.155 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 22' ' ' LEU . 52.1 m-20 -63.58 -43.97 95.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.415 ' ND2' ' HA ' ' A' ' 23' ' ' TRP . 3.4 m-20 -53.43 -50.85 64.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 19.6 mt -51.74 133.63 36.97 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.645 0.736 . . . . 0.0 111.088 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 86.16 0.59 Allowed 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.643 2.229 . . . . 0.0 112.374 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 29.9 mt -124.71 126.87 46.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 31.6 m -76.79 49.85 0.66 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.834 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -124.09 152.4 66.98 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.632 0.729 . . . . 0.0 110.9 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.481 ' O ' ' N ' ' A' ' 34' ' ' ARG . 53.2 Cg_endo -69.78 97.75 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.685 2.257 . . . . 0.0 112.329 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 32' ' ' PRO . 0.0 OUTLIER -37.39 -29.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.927 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.481 ' N ' ' O ' ' A' ' 32' ' ' PRO . 94.5 mtt180 -85.2 142.05 29.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.871 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.637 ' N ' HD21 ' A' ' 35' ' ' ASN . 0.9 OUTLIER 58.82 33.54 23.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.923 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.454 HD13 ' N ' ' A' ' 37' ' ' SER . 4.2 pp -64.19 -39.61 94.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.454 ' N ' HD13 ' A' ' 36' ' ' LEU . 32.3 t -50.84 -42.03 58.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.888 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 39.8 ttt180 -51.74 -49.61 62.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.894 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.79 -50.84 18.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -43.72 -36.09 2.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 40.9 t -47.96 -40.34 22.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.868 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.422 ' HA ' ' CD ' ' A' ' 72' ' ' LYS . 1.1 m-20 -57.27 -43.26 82.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.846 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 112.44 -38.82 3.09 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.499 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 55.4 t -45.34 -51.93 2.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.853 0.359 . . . . 0.0 111.109 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -50.31 -57.46 7.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 93.5 t -43.03 -37.18 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.132 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.89 -53.2 34.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.075 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -49.81 -44.83 49.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.844 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 79.5 t -49.29 -51.53 13.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.12 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 38.1 mt -53.94 -41.37 49.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.16 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.2 tmtp? -37.08 -55.99 0.92 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -43.19 -45.05 5.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.864 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -75.66 -46.51 30.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.945 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.465 ' CZ ' ' HB3' ' A' ' 121' ' ' ARG . 55.2 m-85 -147.47 120.48 4.8 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.645 0.736 . . . . 0.0 110.835 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -38.49 7.7 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.649 2.232 . . . . 0.0 112.333 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 57' ' ' MET . 19.0 ptmt -65.38 -55.27 19.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.44 ' SD ' ' CD2' ' A' ' 54' ' ' PHE . 75.0 mtp -37.11 -55.1 0.97 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 72.5 t -65.2 114.57 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.127 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -118.38 99.67 6.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.87 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 90.0 mmm -89.88 53.52 2.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 61.7 t60 -112.47 -39.12 4.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.91 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.432 ' OD1' ' CE1' ' A' ' 63' ' ' TYR . 6.0 p30 -100.23 -26.89 13.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.432 ' CE1' ' OD1' ' A' ' 62' ' ' ASN . 21.9 m-85 -78.97 146.81 33.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.467 ' CG1' ' HD2' ' A' ' 65' ' ' PRO . 93.6 t -156.84 138.54 9.93 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.659 0.742 . . . . 0.0 111.146 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.467 ' HD2' ' CG1' ' A' ' 64' ' ' VAL . 53.9 Cg_endo -69.77 117.61 5.18 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.714 2.276 . . . . 0.0 112.34 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -129.18 -179.31 5.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 -118.79 -44.35 2.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 9.0 t -56.5 128.76 37.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.853 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 12.9 tp -52.78 -44.94 66.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.895 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 11.1 tp-100 -39.79 -50.14 2.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 72' ' ' LYS . 60.2 tp60 -62.59 -47.32 84.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.422 ' CD ' ' HA ' ' A' ' 42' ' ' ASP . 25.7 mmtm -37.07 -62.76 0.47 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.928 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 14.6 mt -54.84 -46.77 74.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 37.0 t -49.92 -59.91 3.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -48.83 -66.32 0.42 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.841 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.517 ' CZ2' HG23 ' A' ' 99' ' ' ILE . 40.5 m95 -39.82 -54.93 2.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -38.8 -60.6 1.47 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.541 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 12.4 m-70 -54.28 -36.77 63.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.845 0.355 . . . . 0.0 110.886 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.417 HD13 ' CZ ' ' A' ' 63' ' ' TYR . 3.3 tp -61.79 -20.78 63.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 64.5 t-20 -79.84 -28.71 40.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.851 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 9.8 mtt85 -110.21 1.87 18.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.49 -35.94 5.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.441 ' O ' ' C ' ' A' ' 84' ' ' LEU . 92.7 t -112.3 -71.9 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.146 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.441 ' C ' ' O ' ' A' ' 83' ' ' VAL . 41.2 mt -35.0 -57.99 0.54 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 84' ' ' LEU . 9.7 tppt? -35.84 -57.53 0.67 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 19.7 mmt180 -52.54 -44.68 65.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.426 ' O ' ' C ' ' A' ' 88' ' ' ASN . 10.8 mt -86.43 31.77 0.65 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.426 ' C ' ' O ' ' A' ' 87' ' ' LEU . 16.0 m120 36.22 38.6 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -108.91 147.37 32.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 87.5 p -137.89 147.02 44.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.836 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 12.2 t -149.08 130.77 7.42 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.64 0.733 . . . . 0.0 111.126 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 176.0 7.38 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.672 2.248 . . . . 0.0 112.34 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -75.14 -46.75 32.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.843 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -44.68 -51.01 9.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 97.0 t -59.97 -43.05 91.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.155 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 6.1 mtm -61.51 -45.51 93.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -49.3 -48.53 46.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.405 ' HE2' ' CG2' ' A' ' 106' ' ' VAL . 31.4 mtpt -57.21 -56.17 25.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.517 HG23 ' CZ2' ' A' ' 76' ' ' TRP . 30.9 mt -47.44 -55.7 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.13 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -59.08 -22.82 61.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -84.91 14.16 5.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.954 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 38.9 t 58.77 40.17 23.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.883 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.4 ' HB1' ' CG2' ' A' ' 106' ' ' VAL . . . -77.74 118.34 71.46 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.587 0.708 . . . . 0.0 111.092 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.83 119.37 6.33 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.658 2.238 . . . . 0.0 112.333 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 105.83 -52.74 0.68 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.453 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.405 ' CG2' ' HE2' ' A' ' 98' ' ' LYS . 60.4 t -43.79 -62.52 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.895 0.378 . . . . 0.0 111.142 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 8.3 p -45.65 -38.68 2.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.101 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.546 ' OE1' ' CE1' ' A' ' 21' ' ' TYR . 4.9 mm-40 -64.3 -35.83 82.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 87.2 mt -53.68 -19.76 4.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 72.4 t -105.97 -25.23 3.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.162 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 75.8 mt -72.3 -39.44 68.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.945 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.526 ' N ' ' HD2' ' A' ' 113' ' ' PRO . 3.7 mt -55.28 -57.88 17.98 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.605 0.716 . . . . 0.0 111.14 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.526 ' HD2' ' N ' ' A' ' 112' ' ' ILE . 53.6 Cg_endo -69.76 -35.97 11.66 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.675 2.25 . . . . 0.0 112.347 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 7.3 tt -58.09 -56.42 22.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.95 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 20.2 ttt180 -53.48 -40.41 65.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 7.3 mm100 -53.02 -56.02 19.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.935 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.431 ' O ' ' N ' ' A' ' 120' ' ' GLU . 9.4 mpt_? -52.46 -53.41 45.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.415 ' C ' ' O ' ' A' ' 117' ' ' ARG . 26.2 mt -36.77 -56.98 0.82 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -45.39 -40.96 8.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.848 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 117' ' ' ARG . 8.3 tm-20 -55.66 -49.84 71.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.465 ' HB3' ' CZ ' ' A' ' 54' ' ' PHE . 69.5 mtt-85 -68.19 -37.18 80.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.9 -66.87 0.43 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.942 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 13.4 ptt85 -66.29 174.2 2.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -166.44 127.39 1.71 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 9.4 tpt180 -80.91 148.82 29.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 15.3 tttp -116.82 39.88 3.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.96 179.944 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.2 m -139.79 115.06 9.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.86 0.362 . . . . 0.0 110.842 -179.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.3 t -92.64 151.42 20.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.55 149.87 51.18 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.501 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.3 p -153.24 105.53 2.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.903 0.382 . . . . 0.0 110.856 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.6 p -120.05 155.57 32.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.87 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -112.91 -109.51 2.96 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.494 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 20.2 ttm -56.2 115.41 2.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.81 0.338 . . . . 0.0 110.89 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -136.42 150.33 48.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.097 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 93.3 p -95.14 177.64 5.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 46.5 p -113.26 162.45 16.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.903 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.5 t 57.87 35.46 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.13 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -53.85 175.9 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -44.33 -40.96 5.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.898 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -53.31 -52.68 58.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.931 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -43.57 -40.81 4.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.084 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 18' ' ' HIS . 48.0 mt -68.39 -71.32 0.22 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.94 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.429 ' C ' ' O ' ' A' ' 17' ' ' LEU . 4.2 t60 -35.45 -50.33 0.57 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 22.5 mm100 -53.14 -46.91 69.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.431 ' CD2' ' HG2' ' A' ' 108' ' ' GLU . 6.6 tp -64.35 -35.46 80.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.619 ' CE2' ' CD2' ' A' ' 36' ' ' LEU . 3.3 m-85 -63.88 -13.79 48.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 38.8 mt -91.19 -47.68 7.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.867 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 26.2 t90 -46.58 -48.42 19.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.899 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.409 ' O ' ' C ' ' A' ' 25' ' ' ASP . 85.4 t -62.09 -45.93 97.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.098 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 24' ' ' VAL . 42.3 t0 -37.0 -55.51 0.92 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -41.69 -53.31 3.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 49.2 mt -67.73 123.09 86.09 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.64 0.733 . . . . 0.0 111.15 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 99.43 0.75 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.709 2.273 . . . . 0.0 112.317 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 40.2 mt -111.86 100.19 8.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.919 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 18.8 m -55.24 98.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.3 tpm_? -150.73 120.72 3.7 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.593 0.711 . . . . 0.0 110.892 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -165.07 0.14 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.719 2.279 . . . . 0.0 112.342 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -73.85 111.73 9.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 29.6 ttt180 -165.01 164.13 20.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -53.29 146.63 11.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.619 ' CD2' ' CE2' ' A' ' 21' ' ' TYR . 7.5 tp -89.11 -48.19 7.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.936 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 32.4 t -65.39 -28.25 69.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 9.3 tpp85 -75.14 -43.61 51.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.845 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -63.27 -39.7 95.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.924 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -76.97 -40.21 47.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.3 t -44.15 -30.02 0.71 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.828 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 45.4 t0 -90.56 136.9 32.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.836 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -80.28 44.11 2.81 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.464 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 91.2 t -115.21 -39.96 2.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.84 0.352 . . . . 0.0 111.096 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.2 tp -77.77 -43.87 29.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.932 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 97.1 t -40.97 -38.57 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.122 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.88 -43.38 98.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.08 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -51.87 -45.88 64.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 98.4 t -53.9 -30.87 19.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.121 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 38.1 mt -72.05 -40.98 67.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.102 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.4 tppt? -41.55 -50.69 4.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 45.3 t80 -46.67 -43.09 17.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.836 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.558 ' CE2' HD13 ' A' ' 118' ' ' LEU . 81.9 m-85 -85.24 -65.96 0.95 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.957 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -124.9 120.9 25.52 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.629 0.728 . . . . 0.0 110.869 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -50.7 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.693 2.262 . . . . 0.0 112.346 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.442 ' HD3' ' N ' ' A' ' 56' ' ' LYS . 0.1 OUTLIER -54.32 -59.17 5.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.407 ' C ' ' O ' ' A' ' 56' ' ' LYS . 15.0 mtp -35.88 -40.95 0.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.402 ' CG1' ' HG3' ' A' ' 60' ' ' MET . 40.1 t -53.98 -71.85 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.139 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 49.78 50.51 18.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.855 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.402 ' HG3' ' CG1' ' A' ' 58' ' ' VAL . 11.2 mtp -78.89 48.82 0.86 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 65.7 t60 -106.34 -0.73 24.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.841 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -117.49 -26.02 6.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.428 ' HH ' ' N ' ' A' ' 79' ' ' LEU . 74.2 m-85 -81.66 157.72 24.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.434 ' CG1' ' HD2' ' A' ' 65' ' ' PRO . 84.2 t -155.34 137.6 10.01 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.624 0.726 . . . . 0.0 111.106 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.434 ' HD2' ' CG1' ' A' ' 64' ' ' VAL . 53.5 Cg_endo -69.8 96.09 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.693 2.262 . . . . 0.0 112.32 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -101.51 154.09 19.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.086 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 18.8 t30 -88.25 -34.26 17.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.877 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 20.7 m -63.37 -178.83 0.28 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.6 tt -101.3 -44.8 5.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.917 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 9.7 mm-40 -43.46 -42.71 4.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -68.24 -43.82 77.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 58.6 mmtt -43.31 -64.07 0.71 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 29.0 mt -59.3 -45.76 90.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 47.9 t -41.95 -50.73 4.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.876 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.414 ' O ' ' N ' ' A' ' 78' ' ' HIS . 93.0 m-20 -63.4 -61.93 2.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.889 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.405 ' C ' ' O ' ' A' ' 75' ' ' ASN . 43.1 m95 -37.73 -54.26 1.22 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.875 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -49.6 -39.0 29.69 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.531 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.414 ' N ' ' O ' ' A' ' 75' ' ' ASN . 3.2 t-160 -73.79 -33.3 64.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.86 0.362 . . . . 0.0 110.849 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.428 ' N ' ' HH ' ' A' ' 63' ' ' TYR . 8.2 tp -72.87 -12.39 60.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.936 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 64.1 t-20 -73.44 -37.74 65.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 27.2 mtt85 -103.39 3.94 35.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 6.8 mmtp -110.95 -22.82 11.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 54.8 t -127.16 -72.83 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.138 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 40.9 mt -41.11 -65.9 0.38 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.935 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 14.1 tmtt? -42.65 -52.26 4.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 21.7 mmt180 -58.38 -34.47 70.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 17.0 mt -92.31 27.1 2.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 50.64 27.58 3.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -106.4 167.8 9.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.856 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 68.2 p -155.16 148.47 24.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.84 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 10.4 t -143.98 131.78 10.77 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.6 0.714 . . . . 0.0 111.14 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.401 ' HG2' ' CG2' ' A' ' 95' ' ' VAL . 53.5 Cg_endo -69.78 158.75 55.86 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.72 2.28 . . . . 0.0 112.332 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -72.91 -12.93 61.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.864 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -82.71 -31.5 28.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.401 ' CG2' ' HG2' ' A' ' 92' ' ' PRO . 21.2 t -78.11 -25.09 14.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.1 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 9.0 mtt -75.87 -49.93 16.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 36.0 mtm180 -51.51 -28.28 13.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 33.0 mttp -78.71 -57.14 3.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.85 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.409 ' CG1' HG13 ' A' ' 106' ' ' VAL . 84.6 mt -45.76 -56.82 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.139 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -60.77 -17.74 50.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.095 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 19.3 mm-40 -99.05 36.2 1.75 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 22.2 m 40.6 45.04 1.91 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.87 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.91 152.64 96.23 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.601 0.715 . . . . 0.0 111.082 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.445 ' O ' ' C ' ' A' ' 105' ' ' GLY . 53.5 Cg_endo -69.84 118.25 5.57 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.696 2.264 . . . . 0.0 112.335 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 104' ' ' PRO . . . 34.38 81.46 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.463 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.409 HG13 ' CG1' ' A' ' 99' ' ' ILE . 24.6 t -129.81 -48.44 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.859 0.361 . . . . 0.0 111.114 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 14.1 p -72.61 -21.67 19.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.131 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.438 ' OE1' ' C ' ' A' ' 108' ' ' GLU . 0.6 OUTLIER -63.64 -44.63 93.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 63.2 mt -57.19 -21.62 34.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 19.7 t -92.04 -20.72 6.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.093 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 89.0 mt -75.03 -46.82 32.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.512 ' N ' ' HD2' ' A' ' 113' ' ' PRO . 2.7 mt -44.61 -58.01 5.88 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.558 0.694 . . . . 0.0 111.129 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.512 ' HD2' ' N ' ' A' ' 112' ' ' ILE . 53.8 Cg_endo -69.76 -27.57 26.31 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.69 2.26 . . . . 0.0 112.388 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 6.8 tp -53.03 -48.43 67.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 21.6 ptt180 -66.58 -40.93 89.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.826 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 -51.77 -33.37 34.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.933 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 120' ' ' GLU . 23.6 mmm180 -82.91 -56.86 3.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.558 HD13 ' CE2' ' A' ' 53' ' ' TYR . 41.2 mt -41.77 -39.51 1.76 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.935 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -77.45 -32.7 54.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 117' ' ' ARG . 1.5 tp10 -62.92 -24.42 67.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.855 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 37.5 mtt-85 -103.5 -27.07 12.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -54.58 -61.75 2.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.927 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -58.18 -44.04 87.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 32.6 mtp85 -52.4 112.83 0.88 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 35.3 ttt180 -95.28 94.53 7.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 5.6 mtpp -105.08 157.37 17.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.987 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.9 m -128.9 140.97 51.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.935 0.398 . . . . 0.0 110.87 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.4 p -101.34 172.15 7.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.878 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -90.07 -109.9 1.36 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.496 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 m 60.35 41.95 15.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.914 0.387 . . . . 0.0 110.904 -179.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.2 m -109.88 82.68 1.63 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.868 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 124.2 -39.55 2.13 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.489 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 9.5 ptm -73.45 -5.55 40.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.745 0.307 . . . . 0.0 110.857 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -124.58 128.33 48.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.092 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.0 t -94.85 -54.0 3.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.853 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.5 m -59.56 117.41 4.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.423 HG13 ' N ' ' A' ' 13' ' ' ASP . 86.4 t -52.19 143.07 4.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.127 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.423 ' N ' HG13 ' A' ' 12' ' ' VAL . 5.2 p-10 -142.92 176.68 8.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.835 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -51.8 -35.26 43.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -61.97 -47.7 83.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.904 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.42 -52.89 63.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.164 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 31.6 mt -46.73 -55.97 6.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.507 ' CE1' HD11 ' A' ' 22' ' ' LEU . 15.5 t-80 -38.68 -50.86 1.66 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.852 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 40.9 mm-40 -46.02 -42.86 13.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 25.6 tp -67.49 -36.08 80.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.847 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -63.52 -56.51 15.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.935 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.507 HD11 ' CE1' ' A' ' 18' ' ' HIS . 49.0 mt -43.87 -54.52 5.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.935 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.52 ' CE2' ' HD2' ' A' ' 115' ' ' ARG . 6.2 t90 -39.98 -37.24 0.56 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.946 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 73.3 t -75.53 -42.71 42.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.424 ' OD1' ' C ' ' A' ' 25' ' ' ASP . 0.2 OUTLIER -52.58 -29.39 25.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.855 179.925 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -76.69 -46.23 26.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 93.1 mt -57.95 134.28 83.62 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.59 0.71 . . . . 0.0 111.151 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 108.69 2.13 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.698 2.265 . . . . 0.0 112.369 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 15.8 mt -132.08 120.78 22.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.9 t -50.91 -25.35 4.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.401 ' HD2' ' CG ' ' A' ' 39' ' ' ASP . 33.6 ttp180 -45.52 134.82 5.97 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.58 0.705 . . . . 0.0 110.918 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -164.25 0.12 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.729 2.286 . . . . 0.0 112.328 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.5 mppt? -90.31 117.19 28.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 11.7 ttp180 -175.16 -178.36 1.18 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.853 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.419 ' HB2' ' CG ' ' A' ' 38' ' ' ARG . 19.2 m120 -55.14 169.68 0.24 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.556 HD11 ' CD1' ' A' ' 40' ' ' PHE . 1.0 OUTLIER -89.44 -61.46 1.69 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 179.93 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 7.1 t -54.46 -43.44 71.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.419 ' CG ' ' HB2' ' A' ' 35' ' ' ASN . 20.0 mmt85 -47.19 -36.69 9.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.865 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.401 ' CG ' ' HD2' ' A' ' 31' ' ' ARG . 5.9 m-20 -93.8 -63.13 1.23 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.863 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.556 ' CD1' HD11 ' A' ' 36' ' ' LEU . 3.8 m-85 -41.76 -43.37 2.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 40' ' ' PHE . 60.4 p -34.74 -41.96 0.14 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.857 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.445 ' O ' ' C ' ' A' ' 43' ' ' GLY . 30.1 t0 -75.71 108.41 8.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.858 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 42' ' ' ASP . . . -34.34 -49.65 0.67 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.451 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 92.5 t -43.02 -53.83 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.904 0.383 . . . . 0.0 111.141 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -48.41 -57.07 6.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.912 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 61.6 t -48.43 -45.88 14.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.097 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -53.73 -38.1 63.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.11 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -60.78 -40.45 92.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 71.3 t -54.97 -25.0 15.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.125 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 24.3 mt -81.42 -40.09 17.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.116 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.441 ' CA ' HG22 ' A' ' 58' ' ' VAL . 15.0 tptm -42.3 -52.3 4.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -44.15 -52.75 7.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.46 ' CE2' HD12 ' A' ' 118' ' ' LEU . 58.1 m-85 -73.27 -63.88 1.09 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 -179.837 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -126.91 122.8 23.43 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.686 0.755 . . . . 0.0 110.863 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -49.53 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.687 2.258 . . . . 0.0 112.351 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.485 ' O ' ' N ' ' A' ' 58' ' ' VAL . 25.1 mmmt -56.04 -54.68 41.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 58.9 mmm -38.37 -26.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.485 ' N ' ' O ' ' A' ' 56' ' ' LYS . 59.6 t -92.25 136.84 23.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.141 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 17.4 mp0 -132.96 94.11 3.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 2.9 mmt -89.93 31.31 0.98 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -104.27 -42.73 5.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.588 ' OD1' ' CD1' ' A' ' 63' ' ' TYR . 11.2 p30 -89.71 -39.33 13.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.588 ' CD1' ' OD1' ' A' ' 62' ' ' ASN . 20.8 m-85 -67.43 148.77 51.13 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 10.9 t -147.2 131.94 8.84 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.628 0.727 . . . . 0.0 111.117 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 126.78 13.68 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.689 2.26 . . . . 0.0 112.351 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.414 ' CB ' ' HG2' ' A' ' 71' ' ' GLN . . . -143.42 174.8 10.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.061 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 46.1 p30 -126.61 20.14 7.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 11.8 m -118.05 139.54 51.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.814 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.433 ' O ' ' C ' ' A' ' 70' ' ' GLN . 4.0 mm? -48.09 -72.9 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.921 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' A' ' 69' ' ' LEU . 5.1 pt20 -34.45 -49.16 0.38 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.917 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.414 ' HG2' ' CB ' ' A' ' 66' ' ' ALA . 11.2 tp60 -59.06 -48.9 79.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 69' ' ' LEU . 17.6 mmtp -56.74 -58.56 7.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 43.4 mt -52.74 -42.13 64.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.89 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 6.4 t -53.36 -49.08 67.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -64.79 -58.23 6.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.94 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.539 ' CZ2' HG21 ' A' ' 99' ' ' ILE . 45.1 m95 -42.93 -51.72 5.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.948 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -44.17 -43.73 7.35 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.469 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 48.6 m170 -66.78 -45.8 77.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.835 0.35 . . . . 0.0 110.884 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.4 tp -58.77 -21.68 56.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.916 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -75.0 -29.07 60.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 35.4 mtm180 -110.02 3.94 20.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.847 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 9.7 mmtp -115.05 -36.11 4.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.416 ' O ' ' C ' ' A' ' 84' ' ' LEU . 55.6 t -108.26 -74.38 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.148 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.488 ' O ' ' N ' ' A' ' 87' ' ' LEU . 61.9 mt -36.84 -58.23 0.77 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.927 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 84' ' ' LEU . 33.2 tptt -36.55 -56.38 0.81 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.812 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 15.4 mmp_? -58.7 -35.66 72.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.488 ' N ' ' O ' ' A' ' 84' ' ' LEU . 22.8 mt -86.71 27.84 0.94 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 38.88 34.75 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -107.4 167.73 9.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 44.0 p -156.18 141.32 17.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 13.1 t -142.4 131.54 12.0 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.647 0.737 . . . . 0.0 111.11 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.461 ' HG2' ' CG2' ' A' ' 95' ' ' VAL . 53.8 Cg_endo -69.79 159.91 51.66 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.684 2.256 . . . . 0.0 112.369 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -63.3 -36.36 83.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.863 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 -55.67 -57.18 13.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.461 ' CG2' ' HG2' ' A' ' 92' ' ' PRO . 71.9 t -57.03 -41.56 77.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.114 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 7.5 mtm -55.92 -47.38 77.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 13.1 mmt85 -47.26 -57.83 4.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 25.8 mttm -53.38 -46.55 69.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.917 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.539 HG21 ' CZ2' ' A' ' 76' ' ' TRP . 72.9 mt -49.77 -55.95 4.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.137 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -59.84 -19.16 49.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.063 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -90.61 26.93 1.86 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.959 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 19.7 p 39.01 49.16 1.55 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -85.5 125.09 70.5 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.599 0.714 . . . . 0.0 111.101 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 135.8 31.47 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.66 2.24 . . . . 0.0 112.39 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 86.96 -29.39 5.09 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.477 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 97.9 t -69.14 -74.27 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.876 0.37 . . . . 0.0 111.154 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 5.4 p -47.9 -23.92 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.096 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -66.06 -40.59 91.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.866 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 21.0 mt -56.02 -20.41 16.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.1 t -97.37 -28.07 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.153 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 23.9 mt -70.8 -49.76 43.01 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.51 ' N ' ' HD2' ' A' ' 113' ' ' PRO . 2.7 mt -44.86 -58.68 5.09 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.638 0.732 . . . . 0.0 111.124 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' A' ' 112' ' ' ILE . 53.7 Cg_endo -69.74 -50.43 0.47 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.696 2.264 . . . . 0.0 112.327 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 8.0 tt -47.09 -51.48 17.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.885 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.52 ' HD2' ' CE2' ' A' ' 23' ' ' TRP . 35.5 ttp180 -59.4 -47.27 86.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -47.2 -33.44 5.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.403 ' O ' ' N ' ' A' ' 120' ' ' GLU . 0.0 OUTLIER -74.79 -51.26 14.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.847 -179.879 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.46 HD12 ' CE2' ' A' ' 53' ' ' TYR . 59.3 mt -40.38 -47.34 2.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.932 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -60.8 -40.06 91.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 117' ' ' ARG . 20.7 tt0 -61.03 -44.32 97.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 7.5 mtt-85 -71.02 -37.2 72.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -49.74 -65.55 0.54 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.941 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.7 177.14 7.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.888 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 8.6 ptp180 -161.75 175.47 11.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 11.8 tpt180 -109.77 115.15 29.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.87 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . 0.447 ' CE ' ' HA ' ' A' ' 126' ' ' LYS . 0.2 OUTLIER -70.04 131.41 44.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 69.0 mt-30 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 179.975 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.471 -0.251 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.9 p -116.45 130.45 56.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.9 0.381 . . . . 0.0 110.844 -179.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.4 m -110.75 150.94 28.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.866 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.28 75.67 0.36 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.53 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.7 p -129.67 143.89 51.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.819 0.342 . . . . 0.0 110.92 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.9 m -94.21 42.15 1.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.36 90.47 0.86 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.496 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.3 ptm -165.66 150.53 8.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.741 0.305 . . . . 0.0 110.926 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 46.1 46.87 13.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.099 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 35.3 t -131.63 143.36 50.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.821 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.4 m -51.15 173.49 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.882 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.427 ' CG1' ' HB3' ' A' ' 16' ' ' ALA . 54.2 t -55.7 130.13 17.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.117 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -68.93 166.78 17.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -65.66 -48.51 71.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.42 ' HG3' ' N ' ' A' ' 16' ' ' ALA . 11.2 pt-20 -50.83 -45.56 59.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.869 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.427 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . . . -50.31 -54.79 18.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.125 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.405 ' C ' ' O ' ' A' ' 16' ' ' ALA . 44.3 mt -37.08 -56.49 0.9 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 19.9 t-160 -43.81 -56.38 3.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.825 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 48.3 mm-40 -42.75 -43.0 3.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.9 tp -68.5 -38.22 80.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -61.43 -30.92 70.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.905 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 14.4 mt -68.41 -55.92 10.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.946 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.493 ' CH2' HG13 ' A' ' 49' ' ' VAL . 5.1 t90 -41.15 -53.88 3.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.423 ' O ' ' N ' ' A' ' 27' ' ' ILE . 75.4 t -67.52 -55.41 17.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.144 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -38.72 -39.9 0.55 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -64.04 -44.67 91.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.423 ' N ' ' O ' ' A' ' 24' ' ' VAL . 25.3 mt -62.09 121.57 66.73 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.61 0.719 . . . . 0.0 111.16 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 82.36 0.75 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.71 2.273 . . . . 0.0 112.326 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 95.3 mt -82.61 110.66 17.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.952 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 24.1 m -71.56 80.49 0.81 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.844 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.4 mmp_? -134.85 152.84 78.14 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.572 0.701 . . . . 0.0 110.877 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -165.78 0.16 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.659 2.239 . . . . 0.0 112.335 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -90.3 115.15 27.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.94 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.6 tpp180 -172.12 160.49 5.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 34.9 m120 -50.28 173.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.458 HD13 ' N ' ' A' ' 36' ' ' LEU . 11.0 mp -83.57 -50.4 8.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.926 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 15.6 t -62.32 -45.16 94.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.843 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 35.1 mtp85 -48.48 -34.76 11.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.881 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.494 ' N ' ' OD1' ' A' ' 39' ' ' ASP . 0.2 OUTLIER -90.86 -63.48 1.26 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.438 ' O ' ' C ' ' A' ' 41' ' ' SER . 14.7 m-85 -37.6 -43.55 0.62 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 40' ' ' PHE . 60.0 p -35.54 -52.8 0.67 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.872 -179.802 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -72.35 125.59 27.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.911 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 44' ' ' VAL . . . -59.67 -44.67 96.69 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.508 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.418 ' C ' ' O ' ' A' ' 43' ' ' GLY . 78.9 t -35.79 -46.25 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.825 0.345 . . . . 0.0 111.1 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 59.5 tp -64.92 -50.19 67.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 96.2 t -47.27 -51.19 6.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.161 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -45.72 -48.79 15.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.095 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -46.0 -40.74 10.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.493 HG13 ' CH2' ' A' ' 23' ' ' TRP . 72.4 t -58.83 -36.76 62.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.152 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 9.8 mt -73.87 -39.26 51.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.151 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.562 ' HZ2' ' N ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -40.14 -54.34 2.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.853 179.859 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.562 ' N ' ' HZ2' ' A' ' 51' ' ' LYS . 62.3 t80 -43.11 -37.86 2.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.924 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 55.5 m-85 -86.85 -39.77 15.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.911 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.41 ' HA ' ' HD2' ' A' ' 55' ' ' PRO . 62.8 m-85 -144.75 104.97 4.55 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.62 0.724 . . . . 0.0 110.875 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 54' ' ' PHE . 53.6 Cg_endo -69.79 -29.43 23.72 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.663 2.242 . . . . 0.0 112.355 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.2 mtpp -71.35 -52.69 17.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.899 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 49.7 mmm -41.43 -52.18 3.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 39.1 t -68.43 129.22 32.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.182 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -132.19 86.03 2.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.484 ' O ' ' N ' ' A' ' 62' ' ' ASN . 9.7 mmt -65.51 -39.43 91.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.401 ' C ' ' O ' ' A' ' 60' ' ' MET . 41.8 m80 -38.02 -27.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.484 ' N ' ' O ' ' A' ' 60' ' ' MET . 26.3 m-80 -103.5 -64.4 1.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -50.73 141.93 12.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.919 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 16.9 t -143.95 133.01 11.35 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.636 0.732 . . . . 0.0 111.114 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 122.88 9.55 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.705 2.27 . . . . 0.0 112.322 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -113.49 171.78 7.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.111 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -123.59 14.35 9.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.95 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 69' ' ' LEU . 52.3 m -122.87 115.98 22.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.827 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.424 ' C ' ' O ' ' A' ' 68' ' ' SER . 38.8 tp -35.89 -59.7 0.57 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.931 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.455 ' HG3' ' N ' ' A' ' 71' ' ' GLN . 5.8 pt20 -41.04 -52.38 3.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.455 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 41.1 tp60 -60.37 -52.72 64.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 10.7 mmmm -42.9 -65.17 0.51 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 18.3 mt -43.73 -44.23 6.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.945 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.8 t -51.21 -56.39 13.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -54.15 -56.67 15.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.888 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.457 ' CZ2' HG21 ' A' ' 99' ' ' ILE . 32.6 m95 -42.87 -42.06 3.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -51.79 -41.94 52.02 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.462 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -68.92 -54.08 17.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.79 0.329 . . . . 0.0 110.847 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.41 ' CD1' HG21 ' A' ' 83' ' ' VAL . 5.7 tp -53.39 -18.09 2.36 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 31.9 t-20 -76.2 -43.66 41.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 70.6 mtp180 -93.67 2.67 56.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 16.3 mmtt -111.33 -30.37 7.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.41 HG21 ' CD1' ' A' ' 79' ' ' LEU . 77.6 t -117.92 -74.4 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.123 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 38.9 mt -38.64 -52.94 1.65 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.1 mtpm? -56.37 -44.2 79.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 26.7 mmt85 -65.34 -20.49 66.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 12.9 mt -105.68 27.54 8.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 47.48 35.48 4.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -114.64 148.35 38.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 90.0 p -136.47 141.05 43.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 10.5 t -138.43 131.81 16.38 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.634 0.73 . . . . 0.0 111.106 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.451 ' HG2' ' CG2' ' A' ' 95' ' ' VAL . 53.6 Cg_endo -69.79 152.88 69.28 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.641 2.228 . . . . 0.0 112.354 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -64.11 -23.81 67.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.853 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -68.55 -34.43 75.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.451 ' CG2' ' HG2' ' A' ' 92' ' ' PRO . 39.6 t -75.67 -41.95 41.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.101 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 8.3 mtm -57.39 -44.38 84.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 32.1 mtm180 -53.92 -46.96 71.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.901 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 32.8 mttm -58.83 -46.73 87.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.457 HG21 ' CZ2' ' A' ' 76' ' ' TRP . 43.9 mt -53.25 -60.22 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.163 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -56.35 -19.24 13.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.059 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 30.8 mm-40 -90.25 21.8 3.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.91 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 13.3 p 42.98 41.96 2.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -91.34 114.31 61.28 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.553 0.692 . . . . 0.0 111.129 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 138.02 36.93 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.64 2.227 . . . . 0.0 112.324 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 97.95 -2.59 60.05 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.474 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 21.1 t -106.33 -66.08 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.896 0.379 . . . . 0.0 111.163 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 7.1 p -49.52 -41.02 15.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.098 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 15.5 mp0 -52.64 -49.74 64.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 34.1 mt -47.74 -20.82 0.31 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.941 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 2.5 t -98.6 -28.59 3.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.126 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 50.8 mt -72.17 -38.47 69.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.517 ' N ' ' HD2' ' A' ' 113' ' ' PRO . 3.5 mt -51.91 -57.93 13.06 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.61 0.719 . . . . 0.0 111.154 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.517 ' HD2' ' N ' ' A' ' 112' ' ' ILE . 53.5 Cg_endo -69.79 -50.17 0.49 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.656 2.238 . . . . 0.0 112.391 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 113' ' ' PRO . 6.7 tp -37.29 -61.75 0.56 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.465 ' CZ ' ' HB2' ' A' ' 23' ' ' TRP . 33.6 ttt180 -53.68 -47.81 70.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 -52.8 -43.92 66.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.906 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 29.8 mmm180 -67.3 -52.67 37.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 21.7 mt -41.01 -54.2 2.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.949 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -42.04 -61.84 1.06 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.871 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.457 ' O ' ' CG ' ' A' ' 124' ' ' ARG . 29.5 tt0 -45.91 -37.01 5.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 8.0 mmt180 -77.61 -32.6 53.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.888 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 51.1 tp60 -60.54 -73.11 0.1 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.883 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -49.33 -39.74 32.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.841 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . 0.457 ' CG ' ' O ' ' A' ' 120' ' ' GLU . 11.5 mmt180 -51.99 136.2 29.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.879 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -92.81 171.45 8.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 18.2 mmmt -95.71 160.86 14.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 10.6 tm0? . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 179.933 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.3 p -114.24 144.15 43.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.88 0.371 . . . . 0.0 110.829 -179.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 m -156.93 136.65 12.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.73 100.99 0.19 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.491 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.9 m -97.5 175.75 6.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.918 0.39 . . . . 0.0 110.835 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.6 p -131.76 143.73 50.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.87 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.54 120.83 0.64 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.448 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -111.33 140.99 45.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.813 0.339 . . . . 0.0 110.905 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -147.8 171.51 15.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.122 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.0 m -129.28 112.8 14.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.843 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 23.1 p -158.5 162.88 37.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 92.8 t -102.19 138.58 25.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.127 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.426 ' O ' ' N ' ' A' ' 16' ' ' ALA . 14.1 m-20 -154.13 168.29 26.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 13' ' ' ASP . 55.6 mt-10 -37.12 -36.26 0.13 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.901 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -64.54 -49.1 72.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.885 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -40.06 -44.54 1.79 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.094 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.3 mt -52.64 -59.71 4.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.966 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -45.81 -54.39 8.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 81.2 mm-40 -42.11 -48.89 4.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.9 tp -63.6 -41.14 98.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.935 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -61.55 -52.79 62.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.926 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 15.8 mt -56.5 -44.58 80.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.966 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 11.7 t90 -46.24 -35.96 5.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 59.1 t -66.53 -55.85 16.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.148 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -49.85 -43.31 48.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.847 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -43.21 -36.74 1.85 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.859 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.497 ' CG2' ' HD2' ' A' ' 28' ' ' PRO . 8.5 mt -75.54 136.82 71.05 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.662 0.744 . . . . 0.0 111.087 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.497 ' HD2' ' CG2' ' A' ' 27' ' ' ILE . 53.7 Cg_endo -69.79 8.73 0.71 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.648 2.232 . . . . 0.0 112.346 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.492 ' C ' ' O ' ' A' ' 28' ' ' PRO . 29.0 mt -29.61 101.41 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.911 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 31' ' ' ARG . 5.3 t -37.49 -51.49 1.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 30' ' ' SER . 20.8 ttt180 -35.44 136.53 0.44 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.597 0.713 . . . . 0.0 110.846 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -167.49 0.23 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.683 2.255 . . . . 0.0 112.347 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.465 ' CD ' ' N ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -97.71 133.66 41.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 179.93 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' A' ' 35' ' ' ASN . 10.3 ttm180 -174.82 171.85 3.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.837 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.444 ' C ' ' O ' ' A' ' 34' ' ' ARG . 0.1 OUTLIER -34.95 115.25 0.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.896 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.4 tp -66.64 -49.41 66.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.8 t -44.16 -48.16 9.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.842 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.406 ' O ' ' CB ' ' A' ' 41' ' ' SER . 3.6 tmm_? -73.21 -60.27 2.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.895 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -38.59 -61.15 0.74 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.441 ' O ' ' C ' ' A' ' 41' ' ' SER . 7.4 m-85 -60.31 -38.62 84.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.844 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 40' ' ' PHE . 7.1 t -34.4 -37.7 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.887 -179.783 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.415 ' CG ' ' HE2' ' A' ' 72' ' ' LYS . 0.9 OUTLIER -84.62 97.86 9.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.855 179.941 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 44' ' ' VAL . . . -38.87 -42.89 1.61 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.499 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.425 ' C ' ' O ' ' A' ' 43' ' ' GLY . 54.0 t -35.87 -40.54 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.804 0.335 . . . . 0.0 111.111 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 19.2 tp -73.31 -53.62 10.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 88.8 t -39.36 -43.97 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.167 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.12 -43.29 87.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.106 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -54.36 -50.92 66.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.907 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 97.4 t -46.87 -47.19 8.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.139 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 59.4 mt -52.02 -41.31 31.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.142 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.458 ' HA ' ' CG2' ' A' ' 58' ' ' VAL . 0.9 OUTLIER -38.73 -58.08 1.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.926 179.845 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.419 ' C ' ' O ' ' A' ' 51' ' ' LYS . 21.8 t80 -36.02 -54.57 0.77 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.507 ' CD2' ' HB3' ' A' ' 118' ' ' LEU . 51.9 m-85 -74.68 -59.1 2.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.927 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -135.16 116.84 12.33 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.64 0.733 . . . . 0.0 110.889 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -39.45 6.38 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.657 2.238 . . . . 0.0 112.331 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.9 ptpp? -63.3 -51.43 66.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.912 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.421 ' O ' ' C ' ' A' ' 58' ' ' VAL . 53.5 mmm -49.87 -43.68 49.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.458 ' CG2' ' HA ' ' A' ' 51' ' ' LYS . 55.1 t -34.59 -71.91 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.108 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 45.83 49.63 11.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.454 ' C ' ' SD ' ' A' ' 60' ' ' MET . 2.0 ppp? -83.52 -32.04 26.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.861 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.423 ' C ' ' O ' ' A' ' 60' ' ' MET . 13.8 t-80 -35.82 -60.25 0.54 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.859 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -39.82 -53.56 2.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -57.77 167.27 1.17 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.935 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 93.2 t -142.39 132.91 12.6 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.668 0.746 . . . . 0.0 111.112 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 119.87 6.75 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.661 2.241 . . . . 0.0 112.317 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.436 ' CB ' ' HG3' ' A' ' 71' ' ' GLN . . . -124.77 169.95 11.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.118 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -121.55 28.83 7.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.3 m -125.49 154.15 42.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.837 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 13.9 tp -63.92 -64.45 0.89 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.905 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.45 ' HG3' ' N ' ' A' ' 71' ' ' GLN . 29.2 pt20 -38.25 -48.55 1.3 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.45 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 17.4 mm100 -51.5 -60.61 2.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.415 ' HE2' ' CG ' ' A' ' 42' ' ' ASP . 24.9 mmtp -38.3 -65.87 0.31 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 13.4 mt -45.97 -46.86 16.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.953 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.6 t -49.83 -48.3 50.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 22.0 m-20 -68.39 -59.05 3.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.9 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 41.9 m95 -44.25 -46.41 9.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -54.09 -50.01 57.05 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.53 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 49.2 m-70 -61.14 -46.82 88.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.849 0.357 . . . . 0.0 110.884 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.6 tp -57.43 -23.87 52.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 36.8 t-20 -72.54 -28.15 62.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.846 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 32.1 mmt180 -108.55 1.93 21.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 18.7 mttp -113.99 -35.04 5.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.41 ' O ' ' C ' ' A' ' 84' ' ' LEU . 72.2 t -109.42 -72.27 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.107 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.41 ' C ' ' O ' ' A' ' 83' ' ' VAL . 73.2 mt -37.29 -55.61 1.01 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.937 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 22.9 tttm -44.37 -49.76 9.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.938 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 31.2 mmt180 -60.63 -30.25 69.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 13.1 mt -97.08 28.36 3.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 44.57 28.4 0.32 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -104.62 142.86 33.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 6.3 m -139.24 141.25 37.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.851 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 93.7 t -140.69 133.09 14.35 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.683 0.754 . . . . 0.0 111.104 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.467 ' HG2' ' CG2' ' A' ' 95' ' ' VAL . 53.7 Cg_endo -69.72 146.46 60.49 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 122.69 2.26 . . . . 0.0 112.39 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -50.93 -39.5 54.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.837 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 52.1 m-20 -50.34 -55.05 17.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.855 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.467 ' CG2' ' HG2' ' A' ' 92' ' ' PRO . 85.6 t -58.4 -39.23 73.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.15 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 15.0 mtm -63.41 -46.54 85.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 48.1 mtp180 -50.07 -36.51 29.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 3.5 mtpm? -74.48 -46.36 40.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.918 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 72.9 mt -47.7 -55.33 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.116 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.72 -29.72 64.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.104 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -77.99 9.12 3.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 11.1 m 62.29 45.57 6.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.4 ' CB ' HG23 ' A' ' 106' ' ' VAL . . . -73.52 121.15 84.43 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.625 0.726 . . . . 0.0 111.094 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 104.62 1.34 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.658 2.239 . . . . 0.0 112.357 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 118.38 -57.55 0.54 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.498 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.4 HG23 ' CB ' ' A' ' 103' ' ' ALA . 47.0 t -41.9 -53.71 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.839 0.352 . . . . 0.0 111.08 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 14.8 p -59.46 -45.59 93.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.11 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -55.85 -48.23 75.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.816 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 56.7 mt -50.59 -18.52 0.7 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 24.9 t -100.33 -27.79 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 81.5 mt -73.69 -35.19 65.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.944 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.516 ' N ' ' HD2' ' A' ' 113' ' ' PRO . 3.7 mt -55.11 -57.86 17.75 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.62 0.724 . . . . 0.0 111.136 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.516 ' HD2' ' N ' ' A' ' 112' ' ' ILE . 54.1 Cg_endo -69.76 -37.34 9.31 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.715 2.277 . . . . 0.0 112.354 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 67.4 tp -44.0 -56.53 3.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.938 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 31.7 ttt180 -60.62 -49.05 79.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -46.97 -44.65 20.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 25.8 mmm180 -64.58 -54.97 23.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.851 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.507 ' HB3' ' CD2' ' A' ' 53' ' ' TYR . 27.8 mt -40.27 -41.86 1.41 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -68.24 -44.25 76.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -45.09 -43.02 9.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.407 ' O ' ' C ' ' A' ' 122' ' ' GLN . 30.3 mtp180 -68.06 -42.46 80.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.809 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 121' ' ' ARG . 29.2 tt0 -37.54 -52.15 1.18 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.89 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.458 ' O ' ' C ' ' A' ' 124' ' ' ARG . 16.2 ptt85 -83.62 -45.48 13.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . 0.458 ' C ' ' O ' ' A' ' 123' ' ' ARG . 1.9 ttt-85 -33.66 -52.16 0.4 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.912 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 35.0 ptt85 -95.75 146.09 24.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.861 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 2.3 mtpm? -53.19 134.64 38.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.845 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 179.94 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.7 m -160.91 176.98 10.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.84 0.353 . . . . 0.0 110.84 -179.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 t -165.35 174.41 10.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.862 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.37 169.37 26.41 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.506 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.4 p -121.19 119.75 33.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.867 0.365 . . . . 0.0 110.844 -179.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.4 m -140.3 157.42 45.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.881 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.85 77.01 0.25 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.509 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 41.2 ttm -130.37 87.56 2.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.83 0.348 . . . . 0.0 110.89 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.39 131.52 50.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.08 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 21.0 t -167.04 145.98 5.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.836 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 49.7 m -45.41 169.35 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 84.3 t -51.4 144.69 2.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.058 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.4 p30 -147.82 168.91 20.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.822 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -45.47 -43.26 11.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -58.29 -46.73 85.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -43.62 -44.98 6.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.117 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.407 ' O ' ' C ' ' A' ' 18' ' ' HIS . 27.5 mt -58.22 -59.17 5.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.892 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.407 ' C ' ' O ' ' A' ' 17' ' ' LEU . 7.2 t-160 -36.07 -54.04 0.78 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.839 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 87.6 mm-40 -38.71 -54.22 1.59 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.416 ' CD2' ' HG3' ' A' ' 108' ' ' GLU . 3.6 tp -60.08 -42.52 94.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -57.15 -53.04 62.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.913 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 64.0 mt -53.43 -54.83 31.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.941 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.503 ' CH2' ' HB3' ' A' ' 115' ' ' ARG . 5.5 t90 -39.94 -38.11 0.66 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.438 ' O ' ' C ' ' A' ' 25' ' ' ASP . 84.5 t -58.06 -57.7 9.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.121 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 24' ' ' VAL . 15.5 t0 -34.44 -52.49 0.49 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.852 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -43.46 -56.45 3.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 96.6 mt -69.4 123.55 88.62 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.632 0.73 . . . . 0.0 111.135 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 117.86 5.34 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.662 2.241 . . . . 0.0 112.383 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 14.9 mt -133.21 123.4 25.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.941 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 59.9 m -77.11 92.09 3.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.828 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 11.0 ptt180 -147.71 148.68 31.34 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.594 0.711 . . . . 0.0 110.861 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 143.86 52.13 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.733 2.289 . . . . 0.0 112.332 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.61 53.36 1.64 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.1 mmm180 -111.42 -46.14 3.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.438 ' OD1' ' NH2' ' A' ' 38' ' ' ARG . 8.3 m120 -139.6 118.77 12.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.7 tt -80.26 -45.88 17.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.92 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 47.9 t -56.61 -49.12 75.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.85 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.438 ' NH2' ' OD1' ' A' ' 35' ' ' ASN . 4.4 mtm105 -68.01 -42.24 81.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.843 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 -53.77 -45.12 70.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.438 ' O ' ' C ' ' A' ' 41' ' ' SER . 11.4 m-85 -79.26 -48.3 14.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.846 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 40' ' ' PHE . 47.8 p -34.3 -38.69 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.901 -179.816 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -78.44 124.62 28.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.835 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -60.41 -37.87 93.86 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.453 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 54.8 t -40.43 -44.23 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.901 0.381 . . . . 0.0 111.146 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 30.6 tp -67.76 -49.39 62.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.406 HG21 ' CH2' ' A' ' 76' ' ' TRP . 81.1 t -48.3 -33.8 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.124 179.832 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.92 -50.12 73.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.122 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -48.62 -47.99 39.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.853 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 86.1 t -48.27 -43.05 11.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.119 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.408 ' O ' ' C ' ' A' ' 51' ' ' LYS . 49.6 mt -63.79 -39.74 86.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.131 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 50' ' ' ILE . 24.1 tptt -36.19 -58.29 0.68 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.911 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.417 ' C ' ' CD1' ' A' ' 52' ' ' PHE . 9.5 t80 -39.36 -46.1 1.56 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.503 ' CG ' ' HB3' ' A' ' 118' ' ' LEU . 90.1 m-85 -86.06 -65.65 0.99 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.92 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 -124.08 105.39 31.77 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.681 0.753 . . . . 0.0 110.869 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -44.37 2.12 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.661 2.241 . . . . 0.0 112.303 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 10.1 ptpp? -56.89 -45.02 82.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.845 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.422 ' O ' ' C ' ' A' ' 58' ' ' VAL . 39.4 mmm -56.64 -43.37 80.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.9 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.422 ' C ' ' O ' ' A' ' 57' ' ' MET . 80.9 t -36.05 -62.41 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.114 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 55.89 45.25 24.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.935 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.408 ' C ' ' SD ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -63.17 -50.41 70.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -44.18 -33.36 1.51 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -67.67 -54.15 21.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.918 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -75.74 165.72 24.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 73.7 t -146.75 130.18 8.22 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.658 0.742 . . . . 0.0 111.083 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 150.84 68.84 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.691 2.26 . . . . 0.0 112.346 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -149.93 177.64 9.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.062 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -96.91 -47.94 5.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.4 t -67.92 160.44 28.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.444 ' O ' ' C ' ' A' ' 70' ' ' GLN . 27.0 mt -75.92 -44.72 38.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.899 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.444 ' C ' ' O ' ' A' ' 69' ' ' LEU . 82.4 mt-30 -34.76 -49.91 0.44 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 47.0 tp60 -65.47 -55.85 15.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 7.6 mmpt? -38.14 -59.62 0.84 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.904 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.456 ' HG ' ' CB ' ' A' ' 100' ' ' ALA . 17.1 mt -55.51 -49.51 72.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.914 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 32.4 t -44.5 -51.75 8.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.878 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -61.89 -53.13 60.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.406 ' CH2' HG21 ' A' ' 46' ' ' VAL . 38.8 m95 -47.6 -50.47 24.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.903 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -49.81 -53.28 22.52 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.48 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.498 ' O ' ' CG ' ' A' ' 82' ' ' LYS . 19.6 m-70 -58.1 -32.3 67.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.802 0.334 . . . . 0.0 110.824 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.2 tp -67.33 -23.77 65.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.946 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 36.0 t-20 -72.77 -29.47 63.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 57.0 mtp180 -109.85 2.58 19.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.835 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.498 ' CG ' ' O ' ' A' ' 78' ' ' HIS . 5.2 mmpt? -114.01 -28.71 7.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.907 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.444 ' O ' ' C ' ' A' ' 84' ' ' LEU . 60.7 t -123.0 -70.01 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.106 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.444 ' C ' ' O ' ' A' ' 83' ' ' VAL . 45.5 mt -34.56 -61.67 0.38 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.954 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 56.9 tttt -41.22 -55.41 2.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.94 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 16.9 mmt180 -48.83 -35.02 13.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 10.3 mt -98.2 31.31 2.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 7.1 m120 40.15 36.65 0.33 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.879 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -105.49 139.19 40.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 17.1 m -130.3 139.23 50.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.841 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 93.5 t -143.52 128.08 9.55 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.626 0.727 . . . . 0.0 111.124 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.464 ' HG2' ' CG2' ' A' ' 95' ' ' VAL . 53.0 Cg_endo -69.81 139.72 40.73 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.726 2.284 . . . . 0.0 112.308 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -42.22 -41.49 2.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -48.0 -54.01 14.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.882 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.464 ' CG2' ' HG2' ' A' ' 92' ' ' PRO . 91.3 t -56.21 -43.54 76.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.168 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 5.8 mtt -58.08 -46.0 86.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 44.6 mtm180 -48.1 -46.81 34.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.836 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 101' ' ' GLN . 47.4 mttm -61.2 -57.7 11.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.872 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 72.3 mt -41.14 -57.34 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.119 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.456 ' CB ' ' HG ' ' A' ' 73' ' ' LEU . . . -55.08 -28.01 49.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.084 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 98' ' ' LYS . 5.2 mm-40 -85.65 32.41 0.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . 0.435 ' C ' ' O ' ' A' ' 101' ' ' GLN . 29.3 p 35.35 50.26 0.53 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -89.73 119.9 69.47 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.551 0.691 . . . . 0.0 111.087 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 139.36 39.99 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.723 2.282 . . . . 0.0 112.337 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 88.3 -32.98 4.21 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.444 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 57.8 t -63.06 -64.3 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.849 0.357 . . . . 0.0 111.182 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 9.6 p -56.8 -32.21 37.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.096 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.416 ' HG3' ' CD2' ' A' ' 20' ' ' LEU . 8.4 mp0 -56.82 -46.37 81.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 16.7 mt -49.81 -29.12 7.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.953 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 90.3 t -94.87 -24.6 4.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.139 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 67.7 mt -69.61 -41.17 76.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.524 ' N ' ' HD2' ' A' ' 113' ' ' PRO . 4.3 mt -52.61 -57.6 15.13 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.64 0.733 . . . . 0.0 111.132 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.524 ' HD2' ' N ' ' A' ' 112' ' ' ILE . 53.9 Cg_endo -69.8 -24.47 29.48 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.678 2.252 . . . . 0.0 112.362 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 14.1 tp -55.01 -70.76 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.503 ' HB3' ' CH2' ' A' ' 23' ' ' TRP . 12.0 ptt85 -46.4 -48.55 18.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 36.3 mm-40 -44.07 -53.08 6.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.907 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -63.87 -44.96 91.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.503 ' HB3' ' CG ' ' A' ' 53' ' ' TYR . 79.5 mt -49.33 -55.33 13.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -68.3 -40.99 81.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -47.3 -49.65 23.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 41.7 mtp85 -70.66 -46.23 63.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.842 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -38.24 -69.73 0.11 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 3.7 ptm180 -53.67 174.49 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.876 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 41.9 mtt85 -154.34 171.83 18.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.848 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 21.4 mmt180 -62.16 161.64 10.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.92 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 127' ' ' GLN . 41.4 mmtt -133.81 176.68 8.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 126' ' ' LYS . 24.2 tt0 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.969 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.8 t -139.03 155.31 48.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.866 0.365 . . . . 0.0 110.843 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.7 p -124.3 158.57 32.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.865 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -106.19 -141.94 10.66 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.459 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -99.42 106.48 18.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.908 0.385 . . . . 0.0 110.835 -179.704 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 t -71.73 -44.4 64.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.877 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.5 -172.99 41.76 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.475 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -132.19 175.73 9.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.792 0.33 . . . . 0.0 110.865 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -133.31 171.85 13.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.048 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 34.3 t -146.43 122.63 10.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.8 m -170.92 155.21 4.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.838 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.469 ' HA ' ' CB ' ' A' ' 16' ' ' ALA . 22.0 t 68.31 36.85 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.1 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.445 ' O ' ' C ' ' A' ' 14' ' ' GLU . 7.1 m-20 -56.28 168.37 0.54 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.906 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 13' ' ' ASP . 2.6 mp0 -34.72 -50.65 0.47 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -48.71 -51.24 29.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.865 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.469 ' CB ' ' HA ' ' A' ' 12' ' ' VAL . . . -59.76 -47.66 84.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.071 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.447 ' O ' ' C ' ' A' ' 18' ' ' HIS . 44.6 mt -55.22 -56.46 19.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.936 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.518 ' CE1' HD13 ' A' ' 22' ' ' LEU . 12.2 t-80 -34.7 -57.16 0.53 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.83 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.428 ' C ' ' O ' ' A' ' 18' ' ' HIS . 61.2 mm-40 -35.68 -50.09 0.61 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.411 ' CD2' ' HG3' ' A' ' 108' ' ' GLU . 4.2 tp -64.89 -52.58 55.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.926 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.485 ' CZ ' HD13 ' A' ' 36' ' ' LEU . 13.2 m-85 -44.52 -39.44 4.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.948 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.518 HD13 ' CE1' ' A' ' 18' ' ' HIS . 33.6 mt -63.69 -50.55 68.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.907 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 17.0 t90 -55.49 -62.04 1.94 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.958 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 91.8 t -44.0 -48.27 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.15 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -45.87 -51.69 12.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.845 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -48.36 -54.11 15.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 86.6 mt -59.9 112.17 4.98 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.603 0.716 . . . . 0.0 111.148 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 112.73 3.15 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.662 2.242 . . . . 0.0 112.362 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 14.7 mt -128.19 122.87 32.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 26.8 t -65.76 91.37 0.13 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.826 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.421 ' NH1' ' HB3' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -173.43 143.98 1.07 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.636 0.731 . . . . 0.0 110.852 -179.947 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.497 ' O ' ' N ' ' A' ' 34' ' ' ARG . 53.6 Cg_endo -69.71 3.86 2.51 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.674 2.249 . . . . 0.0 112.374 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.487 ' C ' ' O ' ' A' ' 32' ' ' PRO . 0.0 OUTLIER 30.27 39.4 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 179.904 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.497 ' N ' ' O ' ' A' ' 32' ' ' PRO . 0.1 OUTLIER -46.78 -31.28 2.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.852 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.421 ' N ' ' HG2' ' A' ' 34' ' ' ARG . 19.3 m120 -155.2 121.17 5.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.485 HD13 ' CZ ' ' A' ' 21' ' ' TYR . 7.9 tt -65.39 -32.46 74.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.7 t -75.95 -44.3 40.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.834 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.403 ' O ' ' C ' ' A' ' 39' ' ' ASP . 22.8 ttp180 -73.99 -63.76 1.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 38' ' ' ARG . 13.0 t0 -37.34 -58.62 0.82 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.884 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.449 ' O ' ' C ' ' A' ' 41' ' ' SER . 12.0 m-85 -60.23 -44.91 94.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.449 ' C ' ' O ' ' A' ' 40' ' ' PHE . 11.8 t -34.41 -39.49 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.445 ' O ' ' C ' ' A' ' 43' ' ' GLY . 7.8 m-20 -79.36 88.47 4.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.845 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 42' ' ' ASP . . . -34.18 -43.72 0.35 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.515 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.406 ' C ' ' O ' ' A' ' 43' ' ' GLY . 86.2 t -36.83 -48.23 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.82 0.343 . . . . 0.0 111.076 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.0 tp -67.76 -47.95 67.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.901 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 87.3 t -39.83 -54.49 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.129 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -40.67 -45.93 2.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.127 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -50.58 -47.93 57.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.852 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 84.3 t -46.22 -55.48 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.145 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.448 ' CD1' HG11 ' A' ' 83' ' ' VAL . 42.4 mt -47.84 -43.71 10.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.152 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.46 ' N ' HG22 ' A' ' 58' ' ' VAL . 0.1 OUTLIER -36.73 -59.91 0.65 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 179.851 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.402 ' C ' ' O ' ' A' ' 51' ' ' LYS . 24.7 t80 -36.94 -41.97 0.37 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.847 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -82.93 -59.2 2.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.933 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.407 ' CZ ' ' HB3' ' A' ' 121' ' ' ARG . 47.0 m-85 -131.09 114.59 16.29 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.634 0.73 . . . . 0.0 110.91 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -50.6 0.46 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.696 2.264 . . . . 0.0 112.357 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 57' ' ' MET . 51.4 mttp -54.65 -61.72 2.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.429 ' HE1' ' CB ' ' A' ' 86' ' ' ARG . 39.3 mmm -36.09 -44.34 0.38 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.926 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.46 HG22 ' N ' ' A' ' 51' ' ' LYS . 91.5 t -72.58 102.26 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.116 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -104.27 55.96 0.72 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 79.1 mmm -57.62 -174.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 12.9 t-80 71.78 25.01 3.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.874 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.401 ' OD1' ' C ' ' A' ' 62' ' ' ASN . 0.9 OUTLIER -133.1 -38.17 0.97 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 -179.924 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.465 ' CE2' HD13 ' A' ' 79' ' ' LEU . 14.2 m-85 -69.4 173.63 5.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 71.7 t -137.57 127.12 15.23 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.63 0.729 . . . . 0.0 111.147 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 155.89 64.93 Favored 'Trans proline' 0 N--CA 1.465 -0.159 0 C-N-CA 122.749 2.299 . . . . 0.0 112.362 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -165.49 179.61 6.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.1 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -129.2 -40.44 1.47 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 34.0 m -53.23 177.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.847 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 17.3 tp -89.08 -58.07 2.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.921 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -40.31 -46.24 2.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.419 ' O ' ' C ' ' A' ' 72' ' ' LYS . 34.9 tp60 -62.55 -59.48 4.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -36.07 -67.66 0.16 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 14.4 mt -41.61 -42.35 2.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.902 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.4 t -53.19 -50.85 63.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.84 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -60.96 -58.94 6.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.439 ' CZ2' HG22 ' A' ' 99' ' ' ILE . 33.3 m95 -48.81 -52.42 24.14 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -47.73 -46.95 24.74 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.455 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 29.5 m170 -65.83 -56.17 13.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.82 0.343 . . . . 0.0 110.85 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.465 HD13 ' CE2' ' A' ' 63' ' ' TYR . 2.1 tp -52.08 -17.19 0.96 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.92 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 29.7 t30 -74.19 -41.2 61.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 27.4 mtm180 -106.21 -3.87 20.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 18.9 mmmt -99.34 -37.79 9.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.448 HG11 ' CD1' ' A' ' 50' ' ' ILE . 64.0 t -113.07 -75.19 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.136 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.489 ' O ' ' N ' ' A' ' 87' ' ' LEU . 83.1 mt -37.02 -48.26 0.77 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.948 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 84' ' ' LEU . 0.2 OUTLIER -37.03 -50.93 0.92 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.926 179.814 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.429 ' CB ' ' HE1' ' A' ' 57' ' ' MET . 13.4 mmt180 -59.32 -37.96 79.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.489 ' N ' ' O ' ' A' ' 84' ' ' LEU . 20.4 mt -84.32 30.14 0.55 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.914 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 8.9 m120 37.03 38.64 0.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.401 ' CE1' HG12 ' A' ' 110' ' ' VAL . 4.9 t80 -114.8 124.83 52.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 46.3 m -120.38 141.67 49.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.844 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 95.1 t -136.57 128.48 17.08 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.647 0.737 . . . . 0.0 111.14 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 143.44 50.88 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.7 2.266 . . . . 0.0 112.378 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -43.62 -33.83 1.29 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.91 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -53.06 -60.64 3.03 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.817 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 76.1 t -61.03 -39.89 83.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.169 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 10.2 mtm -57.69 -47.83 81.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.87 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 83.6 mtt180 -49.57 -61.16 2.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' A' ' 101' ' ' GLN . 30.9 mttm -48.39 -57.24 6.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.439 HG22 ' CZ2' ' A' ' 76' ' ' TRP . 94.6 mt -41.43 -58.74 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.4 -26.17 60.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.123 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.446 ' O ' ' C ' ' A' ' 102' ' ' CYS . 26.8 mt-30 -87.28 31.37 0.73 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . 0.446 ' C ' ' O ' ' A' ' 101' ' ' GLN . 22.0 t 34.43 41.82 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.418 ' HB1' ' CG2' ' A' ' 106' ' ' VAL . . . -71.2 143.99 89.12 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.523 0.677 . . . . 0.0 111.128 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 140.98 44.07 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.666 2.244 . . . . 0.0 112.358 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 44.07 60.52 3.47 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.502 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.418 ' CG2' ' HB1' ' A' ' 103' ' ' ALA . 44.0 t -132.55 -64.43 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.89 0.376 . . . . 0.0 111.139 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 8.8 p -58.69 -32.86 47.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.132 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.411 ' HG3' ' CD2' ' A' ' 20' ' ' LEU . 15.1 mp0 -55.02 -45.8 75.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 11.1 mt -44.2 -30.89 0.85 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.912 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.401 HG12 ' CE1' ' A' ' 89' ' ' PHE . 48.6 t -92.88 -28.37 4.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.16 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 90.7 mt -70.71 -36.39 73.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.503 ' N ' ' HD2' ' A' ' 113' ' ' PRO . 3.7 mt -57.25 -58.0 21.03 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.629 0.728 . . . . 0.0 111.153 179.821 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.503 ' HD2' ' N ' ' A' ' 112' ' ' ILE . 54.2 Cg_endo -69.76 -21.87 32.87 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.678 2.252 . . . . 0.0 112.348 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 17.7 tp -51.36 -69.87 0.1 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.912 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 23.7 ptt180 -47.47 -48.0 27.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -45.56 -61.12 1.82 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 15.2 mmp_? -57.79 -50.72 72.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 34.5 mt -47.56 -41.76 22.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.947 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -54.78 -49.01 71.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -63.21 -35.59 80.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.407 ' HB3' ' CZ ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -64.15 -29.79 70.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.832 -179.935 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 18.8 tp60 -54.81 -47.45 74.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 4.6 ptm180 -90.98 -44.49 9.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.885 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 22.2 mtm180 64.06 48.7 2.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.87 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? 57.94 41.28 24.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 38.8 mttm -139.44 126.59 21.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.897 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 11.1 tm0? . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.893 179.951 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.0 m -97.77 81.09 2.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.903 0.382 . . . . 0.0 110.854 -179.7 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.1 m -165.02 163.58 20.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.864 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.56 78.39 0.27 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.515 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.2 p -137.4 168.64 19.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.89 0.376 . . . . 0.0 110.839 -179.708 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.5 p -48.49 168.94 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.839 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -48.47 171.43 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.441 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.434 ' O ' ' C ' ' A' ' 9' ' ' ALA . 6.3 ttt -174.64 138.8 0.52 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.787 0.327 . . . . 0.0 110.899 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 8' ' ' MET . . . -34.67 147.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.117 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.0 m -148.07 156.2 42.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.876 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 49.7 m -84.12 175.65 9.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.911 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 88.5 t -67.4 143.69 15.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.094 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -135.14 171.22 14.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.858 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -51.36 -43.78 61.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -60.94 -47.85 84.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -48.32 -62.47 1.47 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.123 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 18' ' ' HIS . 19.3 mt -43.24 -51.22 6.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.873 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.443 ' C ' ' O ' ' A' ' 17' ' ' LEU . 5.6 t-160 -34.44 -59.18 0.46 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 18' ' ' HIS . 1.5 mp0 -38.28 -53.72 1.46 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.938 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.0 tp -60.93 -54.99 38.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.935 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -47.6 -40.2 18.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.417 ' O ' ' ND2' ' A' ' 26' ' ' ASN . 6.5 mt -66.78 -56.6 9.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.934 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.7 ' CD1' ' CZ ' ' A' ' 115' ' ' ARG . 7.5 t90 -40.6 -41.51 1.49 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 44.0 t -65.24 -47.14 88.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.184 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.412 ' C ' ' OD1' ' A' ' 25' ' ' ASP . 0.6 OUTLIER -54.61 -30.78 55.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.872 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.417 ' ND2' ' O ' ' A' ' 22' ' ' LEU . 29.2 m-80 -62.77 -53.58 52.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.473 ' CG2' ' HD2' ' A' ' 28' ' ' PRO . 59.9 mt -63.68 138.45 97.38 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.658 0.742 . . . . 0.0 111.167 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.473 ' HD2' ' CG2' ' A' ' 27' ' ' ILE . 54.2 Cg_endo -69.66 108.51 2.08 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.711 2.274 . . . . 0.0 112.414 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' ' 31' ' ' ARG . 36.0 mt -134.94 96.2 3.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.989 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.1 m -63.1 77.73 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.837 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.424 ' N ' ' O ' ' A' ' 29' ' ' LEU . 2.5 mmp_? -135.24 146.12 56.82 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.629 0.728 . . . . 0.0 110.878 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -167.33 0.22 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.726 2.284 . . . . 0.0 112.359 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.59 51.85 2.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.868 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -100.42 -36.17 9.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.867 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 30.4 m120 -155.63 111.72 3.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.932 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.44 HD22 ' N ' ' A' ' 37' ' ' SER . 8.6 tt -74.28 -62.92 1.35 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.943 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.44 ' N ' HD22 ' A' ' 36' ' ' LEU . 14.8 t -43.54 -50.0 7.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.447 ' O ' ' N ' ' A' ' 41' ' ' SER . 57.2 ttp85 -61.07 -62.48 1.82 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 38' ' ' ARG . 21.8 t70 -36.09 -43.75 0.35 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -76.06 -40.31 53.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 38' ' ' ARG . 13.4 m -43.68 -24.29 0.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.82 -179.795 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.26 94.15 6.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -41.43 -34.43 1.07 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.49 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 62.5 t -53.43 -51.95 36.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.882 0.372 . . . . 0.0 111.158 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 34.7 tp -59.55 -38.78 81.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.91 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 88.7 t -56.7 -30.73 33.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.123 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.431 ' CB ' ' CE ' ' A' ' 60' ' ' MET . . . -64.69 -40.79 95.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.131 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 91.5 mt-10 -55.45 -46.59 76.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 24.5 t -50.48 -34.35 11.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.132 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 48.5 mt -74.6 -32.69 30.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.118 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 24.4 tptt -47.89 -46.36 31.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.904 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -52.89 -33.33 49.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.506 ' CZ ' HD11 ' A' ' 118' ' ' LEU . 80.7 m-85 -88.41 -69.63 0.69 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.936 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -121.62 117.49 30.07 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.627 0.727 . . . . 0.0 110.879 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -13.6 34.81 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.684 2.256 . . . . 0.0 112.323 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.5 ptmt -94.75 -48.47 6.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 77.7 mmm -46.91 -35.79 6.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 95.0 t -50.75 -63.34 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.116 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 59.33 49.79 8.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.431 ' CE ' ' CB ' ' A' ' 47' ' ' ALA . 7.3 mmt -84.17 61.29 6.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.878 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 17.4 m80 -119.5 -42.83 2.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.935 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -87.47 -52.05 5.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 48.9 m-85 -44.83 147.58 0.63 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 76.0 t -144.39 129.89 9.63 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.623 0.725 . . . . 0.0 111.116 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 107.84 1.94 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.696 2.264 . . . . 0.0 112.351 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -98.25 165.98 11.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.091 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 70.4 m-20 -100.17 -38.26 8.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.0 t -66.49 -176.24 0.44 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.444 ' O ' ' C ' ' A' ' 70' ' ' GLN . 1.5 tm? -92.88 -69.28 0.75 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.939 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.444 ' C ' ' O ' ' A' ' 69' ' ' LEU . 2.1 tm0? -34.49 -55.41 0.53 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 5.5 tm0? -42.77 -63.76 0.73 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -44.43 -55.3 5.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 15.5 mt -45.06 -42.16 8.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.928 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 9.8 t -55.75 -58.04 9.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.835 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -47.05 -56.97 5.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 45.5 m95 -43.59 -56.44 3.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -44.99 -37.97 5.75 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.512 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.482 ' CE1' ' HE2' ' A' ' 82' ' ' LYS . 3.2 t-160 -73.94 -40.95 62.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.804 0.335 . . . . 0.0 110.836 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 5.5 tp -63.75 -15.52 58.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.466 ' HA ' ' CD1' ' A' ' 84' ' ' LEU . 57.7 t-20 -81.91 -27.93 33.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 56.2 mtp180 -109.58 -5.37 15.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.482 ' HE2' ' CE1' ' A' ' 78' ' ' HIS . 15.2 mmtm -106.3 -37.46 6.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.426 ' O ' ' C ' ' A' ' 84' ' ' LEU . 87.4 t -112.02 -74.97 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.146 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.466 ' CD1' ' HA ' ' A' ' 80' ' ' ASN . 89.1 mt -34.87 -51.5 0.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -43.23 -56.25 3.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 179.816 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 14.6 mmm180 -57.34 -25.07 58.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.812 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.477 ' O ' ' CD ' ' A' ' 117' ' ' ARG . 15.9 mt -99.09 22.5 10.28 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.887 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 14.0 m-20 46.24 33.53 1.84 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.887 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -111.56 138.85 47.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.869 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.7 t -134.69 146.79 49.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 6.7 t -143.7 132.74 11.41 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.619 0.723 . . . . 0.0 111.134 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 -175.16 1.06 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.687 2.258 . . . . 0.0 112.365 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -83.31 -51.38 7.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -41.61 -41.34 2.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 42.9 t -68.26 -52.54 36.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.119 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 4.7 mtt -50.28 -41.56 50.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.93 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 54.5 mtp180 -58.69 -39.14 79.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 78.7 mttt -69.2 -53.62 19.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 66.3 mt -43.93 -63.93 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.099 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -56.82 -17.51 9.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.069 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 18.9 mm-40 -91.68 13.21 18.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.909 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 24.4 m 58.28 49.89 10.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.907 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -94.25 117.58 67.09 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.539 0.685 . . . . 0.0 111.07 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 143.61 51.15 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.635 2.224 . . . . 0.0 112.344 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 82.62 -13.88 39.26 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.487 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 90.9 t -83.99 -73.27 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.869 0.366 . . . . 0.0 111.159 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 9.5 p -50.87 -39.58 19.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.155 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.458 ' O ' ' N ' ' A' ' 111' ' ' LEU . 8.0 mp0 -52.5 -48.09 66.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 33.4 mt -45.37 -24.16 0.27 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.934 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 74.9 t -91.95 -28.16 4.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.104 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 108' ' ' GLU . 95.2 mt -71.58 -40.59 69.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.526 ' N ' ' HD2' ' A' ' 113' ' ' PRO . 3.5 mt -50.77 -57.81 12.22 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.63 0.728 . . . . 0.0 111.128 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.526 ' HD2' ' N ' ' A' ' 112' ' ' ILE . 54.1 Cg_endo -69.77 -40.18 5.61 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.647 2.231 . . . . 0.0 112.342 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 25.3 tp -39.59 -54.25 2.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.7 ' CZ ' ' CD1' ' A' ' 23' ' ' TRP . 5.1 ttm180 -58.17 -59.36 5.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.935 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 115' ' ' ARG . 36.5 mt-30 -37.67 -51.57 1.23 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.477 ' CD ' ' O ' ' A' ' 87' ' ' LEU . 9.0 mtt-85 -64.04 -50.69 67.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.842 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.506 HD11 ' CZ ' ' A' ' 53' ' ' TYR . 49.7 mt -51.1 -37.58 46.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.937 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -69.46 -32.92 72.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.946 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -77.63 -39.16 46.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 26.2 mmt-85 -61.81 -43.07 99.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 123' ' ' ARG . 10.9 tp60 -45.49 -33.86 2.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 122' ' ' GLN . 0.5 OUTLIER -36.51 -42.32 0.34 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.865 -179.907 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 8.9 mpt_? -56.92 158.0 5.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.823 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -114.54 169.19 9.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.22 4.44 5.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.947 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.913 179.995 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 t -98.05 -49.8 4.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.884 0.373 . . . . 0.0 110.858 -179.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.6 t -168.51 173.86 7.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.889 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 41.41 43.72 3.81 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.462 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 86.4 p -56.18 161.82 2.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.855 0.36 . . . . 0.0 110.876 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 t -147.13 137.99 23.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.844 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.09 -122.45 0.64 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.502 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 44.9 tpp -101.38 158.67 15.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.799 0.333 . . . . 0.0 110.89 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -50.22 148.3 3.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.141 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 28.0 t -80.44 134.07 35.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.2 t -81.38 156.21 25.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.459 ' HA ' ' CB ' ' A' ' 16' ' ' ALA . 18.7 t 61.95 37.74 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.096 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -46.67 173.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.851 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -51.35 -30.18 17.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -69.9 -49.48 51.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.889 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.459 ' CB ' ' HA ' ' A' ' 12' ' ' VAL . . . -44.26 -49.89 9.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.116 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 75.4 mt -61.32 -53.91 50.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 7.4 t-160 -41.39 -48.02 3.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 29.4 mm100 -45.39 -43.69 11.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.4 tp -70.95 -43.44 68.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -62.98 -21.86 66.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 81.2 mt -81.5 -34.56 31.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.94 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 20.5 t90 -58.73 -46.46 87.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.944 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 67.5 t -64.48 -27.34 42.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.106 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -47.75 -54.65 11.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.85 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -44.05 -33.94 1.61 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.884 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.474 ' CG2' ' HD2' ' A' ' 28' ' ' PRO . 3.1 mt -99.79 136.19 20.31 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.637 0.732 . . . . 0.0 111.157 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.474 ' HD2' ' CG2' ' A' ' 27' ' ' ILE . 54.2 Cg_endo -69.72 -91.59 0.01 OUTLIER 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.712 2.275 . . . . 0.0 112.35 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 26.9 mt 54.34 47.9 21.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.931 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 19.9 m -80.74 13.12 2.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.464 ' CB ' ' CD ' ' A' ' 32' ' ' PRO . 39.0 mtt85 -41.86 -61.34 1.52 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.654 0.74 . . . . 0.0 110.889 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.464 ' CD ' ' CB ' ' A' ' 31' ' ' ARG . 53.8 Cg_endo -69.77 -169.39 0.33 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.69 2.26 . . . . 0.0 112.362 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 56.7 mmtt -96.99 -176.16 3.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.9 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 20.9 mmt85 -38.18 -62.14 0.6 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.833 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -68.34 95.34 0.6 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.457 ' HB2' ' CD1' ' A' ' 40' ' ' PHE . 4.3 pp -75.99 -35.81 59.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 21.0 t -46.46 -21.15 0.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.844 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 15.7 mtm180 -77.84 -43.78 29.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.846 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 40' ' ' PHE . 17.0 t0 -79.93 -57.22 3.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.88 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.457 ' CD1' ' HB2' ' A' ' 36' ' ' LEU . 9.5 m-85 -36.03 -40.36 0.2 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.859 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 40' ' ' PHE . 35.7 m -36.44 -60.18 0.6 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.836 -179.772 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -52.54 143.18 16.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -85.78 43.73 3.28 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.487 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 60.8 t -120.17 -66.38 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.862 0.363 . . . . 0.0 111.128 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 10.4 tp -52.75 -36.37 57.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 79.2 t -52.72 -39.53 31.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.111 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.51 -34.69 69.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.142 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -58.31 -47.51 83.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 84.9 t -48.15 -46.08 13.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.116 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.406 ' CD1' HG13 ' A' ' 83' ' ' VAL . 37.6 mt -62.7 -38.71 82.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.094 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.407 ' C ' ' HD2' ' A' ' 51' ' ' LYS . 0.5 OUTLIER -42.58 -54.61 3.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 179.86 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -39.32 -42.87 1.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.85 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 99.4 m-85 -86.98 -64.59 1.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.904 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -112.93 89.17 13.08 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.666 0.746 . . . . 0.0 110.916 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -2.53 10.32 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.729 2.286 . . . . 0.0 112.351 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 16.9 pttm -91.24 -52.94 4.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.937 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 18.3 mtm -47.9 -53.84 14.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.919 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 79.4 t -43.26 127.51 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.152 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -132.79 52.74 2.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.437 ' HE2' ' CB ' ' A' ' 63' ' ' TYR . 14.4 mmt -54.13 -14.98 1.25 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.835 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 60.5 m80 -44.83 -48.08 11.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.816 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.438 ' OD1' ' N ' ' A' ' 63' ' ' TYR . 8.0 p30 -88.5 -51.24 5.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.438 ' N ' ' OD1' ' A' ' 62' ' ' ASN . 71.4 m-85 -52.47 124.76 14.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.46 ' CG1' ' HD2' ' A' ' 65' ' ' PRO . 84.6 t -132.79 138.43 31.92 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.63 0.728 . . . . 0.0 111.15 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.46 ' HD2' ' CG1' ' A' ' 64' ' ' VAL . 53.9 Cg_endo -69.77 127.69 14.95 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.722 2.281 . . . . 0.0 112.311 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.413 ' CB ' ' HG2' ' A' ' 71' ' ' GLN . . . -129.96 173.93 10.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.06 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 58.7 m-20 -120.4 42.13 3.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 73.4 m -147.2 130.45 16.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 53.3 mt -48.55 -47.08 39.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.93 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -43.02 -51.76 5.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.413 ' HG2' ' CB ' ' A' ' 66' ' ' ALA . 55.4 tp60 -66.72 -51.25 58.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 42.8 mmtt -40.86 -61.94 0.89 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 19.1 mt -57.45 -50.13 74.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.937 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 34.0 t -42.45 -56.09 3.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 -54.21 -53.29 55.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 45.0 m95 -43.26 -62.86 0.93 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.892 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -41.36 -42.58 3.4 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.439 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 5.7 m170 -70.59 -40.46 73.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.809 0.338 . . . . 0.0 110.796 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 7.4 tp -69.29 -12.14 61.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.922 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 31.5 t-20 -80.18 -33.08 38.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 44.8 mtt85 -105.06 -1.36 25.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 16.3 mttp -108.45 -30.06 8.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.406 HG13 ' CD1' ' A' ' 50' ' ' ILE . 67.7 t -115.22 -73.35 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.138 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 35.8 mt -41.96 -54.88 3.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 18.2 tttt -42.16 -42.68 3.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 21.4 mmt-85 -69.22 -36.16 76.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 16.6 mt -85.78 29.48 0.71 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.935 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 6.8 m120 42.74 25.87 0.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -100.64 174.84 5.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 30.4 m -165.55 129.97 2.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 15.8 t -128.15 132.99 24.66 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.61 0.719 . . . . 0.0 111.101 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 165.36 31.21 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.684 2.256 . . . . 0.0 112.362 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -77.7 -19.37 55.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.911 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -72.99 -32.93 65.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.849 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 18.7 t -80.82 -29.06 11.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.133 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 10.2 mtt -69.36 -49.7 53.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.889 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.497 ' CG ' ' N ' ' A' ' 98' ' ' LYS . 15.5 ptt85 -47.35 -47.91 25.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.497 ' N ' ' CG ' ' A' ' 97' ' ' ARG . 32.1 mttm -55.84 -52.16 65.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 54.5 mt -50.72 -55.94 5.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.132 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.85 -24.8 59.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.121 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 38.0 mm-40 -82.78 6.69 17.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.942 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 4.0 t 63.59 50.44 2.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -98.66 119.53 61.08 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.59 0.709 . . . . 0.0 111.15 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 131.42 21.23 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.676 2.251 . . . . 0.0 112.353 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 109.71 -63.88 0.27 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.49 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.5 t -43.17 -58.57 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.872 0.368 . . . . 0.0 111.149 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 7.3 p -50.68 -50.26 23.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.144 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -51.72 -48.71 63.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.943 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 95.3 mt -51.0 -20.19 1.28 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.896 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 4.2 t -93.29 -26.7 4.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.116 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 91.1 mt -74.17 -37.38 64.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.521 ' N ' ' HD2' ' A' ' 113' ' ' PRO . 3.8 mt -55.63 -57.99 18.11 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.631 0.729 . . . . 0.0 111.085 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.521 ' HD2' ' N ' ' A' ' 112' ' ' ILE . 53.5 Cg_endo -69.75 -43.0 2.92 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.68 2.253 . . . . 0.0 112.316 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 4.6 tp -43.72 -50.49 7.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.417 ' C ' ' HD3' ' A' ' 115' ' ' ARG . 1.1 tmt_? -63.41 -44.62 94.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -53.76 -28.05 32.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -81.7 -57.6 3.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.863 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 21.2 mt -43.21 -45.61 5.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.958 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -61.94 -46.23 90.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -53.25 -50.13 65.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -59.49 -37.7 78.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -44.56 -68.2 0.22 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -64.48 -43.11 95.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.876 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 17.6 mtp180 -62.64 90.9 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -80.66 133.39 35.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.859 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -144.3 139.63 28.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 47.2 tt0 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 179.93 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.836 0.351 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.481 ' CD2' ' HG2' ' A' ' 108' ' ' GLU . 7.0 tp -77.33 -29.39 53.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 8.5 m-30 -72.82 -33.96 66.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.2 mt -78.78 -43.51 25.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.959 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 11.0 t90 -46.21 -47.88 17.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 63.4 t -56.52 -59.77 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.127 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -47.53 -46.25 27.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.873 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -47.29 -49.23 24.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.852 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 60.5 mt . . . . . 0 C--N 1.328 -0.334 0 CA-C-O 121.578 0.704 . . . . 0.0 111.14 179.919 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.6 t0 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.841 0.353 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.549 ' CE1' HD12 ' A' ' 45' ' ' LEU . 5.8 m-85 -39.8 -43.54 1.45 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.1 t -41.6 -43.67 2.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.928 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.496 ' CG ' ' N ' ' A' ' 43' ' ' GLY . 0.4 OUTLIER -49.03 -52.22 26.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.845 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.496 ' N ' ' CG ' ' A' ' 42' ' ' ASP . . . 114.22 -47.74 1.01 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.462 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.4 ' N ' ' OD2' ' A' ' 42' ' ' ASP . 61.8 t -56.06 -20.34 9.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.821 0.344 . . . . 0.0 111.103 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.549 HD12 ' CE1' ' A' ' 40' ' ' PHE . 0.7 OUTLIER -74.05 -32.7 63.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 37.6 t -65.57 -41.88 91.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.104 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.18 -27.74 68.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.133 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -69.97 -48.91 56.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.864 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 51.2 t -49.1 -41.87 14.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.123 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.403 ' O ' ' C ' ' A' ' 51' ' ' LYS . 28.8 mt -66.21 -45.23 90.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.13 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 50' ' ' ILE . 19.1 tptp -37.95 -40.82 0.5 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.938 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -58.47 -52.58 65.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 -73.97 -55.78 5.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.954 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -127.2 93.15 42.1 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.64 0.733 . . . . 0.0 110.903 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -36.54 10.5 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.726 2.284 . . . . 0.0 112.35 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.9 ptmm? -60.99 -49.74 76.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 19.4 mmm -48.52 -52.51 22.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 41.5 t -67.16 147.31 12.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.129 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -118.91 -41.5 2.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 22.2 mmt 48.5 46.51 20.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.909 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 25.6 t-80 -126.66 -30.02 2.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 28.6 m-80 -94.72 -50.61 5.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -58.51 139.78 55.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 89.1 t -134.53 131.16 20.23 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.641 0.734 . . . . 0.0 111.139 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 122.01 8.7 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.686 2.257 . . . . 0.0 112.36 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -133.72 178.07 7.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.089 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 26.0 p30 -126.38 38.88 4.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.8 t -139.2 129.99 26.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 31.6 tp -45.57 -48.97 14.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.932 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -41.43 -58.05 2.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.945 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 17.1 mm100 -66.4 -44.65 82.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 20.1 mmtp -44.6 -64.2 0.74 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 15.4 mt -56.43 -47.33 79.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.915 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.9 t -51.52 -35.42 40.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -74.22 -49.39 23.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.889 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 38.7 m95 -56.81 -48.59 77.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.936 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -43.85 -50.81 7.22 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.516 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -64.94 -49.26 71.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.812 0.339 . . . . 0.0 110.845 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.7 tp -53.92 -15.82 1.55 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.53 ' HA ' HD12 ' A' ' 84' ' ' LEU . 36.6 t-20 -84.3 -28.7 26.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 38.1 mtm180 -110.72 4.3 19.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.885 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 41.9 mmtt -118.32 -34.54 4.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 72.2 t -111.06 -67.45 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.151 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.53 HD12 ' HA ' ' A' ' 80' ' ' ASN . 85.4 mt -44.06 -57.13 3.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.957 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 84' ' ' LEU . 52.5 tttt -37.65 -58.07 0.92 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.906 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -50.84 -36.52 37.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 84' ' ' LEU . 8.8 mt -90.29 29.02 1.31 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.898 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 47.3 t30 40.82 25.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.9 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.44 ' N ' ' O ' ' A' ' 87' ' ' LEU . 14.9 t80 -98.78 132.91 43.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 46.1 m -129.84 147.87 51.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.881 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.632 HG13 ' HD2' ' A' ' 92' ' ' PRO . 94.0 t -152.12 137.54 11.09 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.618 0.723 . . . . 0.0 111.141 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.638 ' HG2' HG23 ' A' ' 95' ' ' VAL . 54.3 Cg_endo -69.73 161.3 46.44 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.739 2.293 . . . . 0.0 112.326 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -65.61 -43.45 89.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -48.14 -41.87 27.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.638 HG23 ' HG2' ' A' ' 92' ' ' PRO . 69.6 t -69.37 -41.85 80.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.144 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.517 ' HA ' HD12 ' A' ' 99' ' ' ILE . 11.9 mtm -60.08 -52.13 66.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.882 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 65.1 mtt-85 -41.2 -45.71 2.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.842 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.709 ' HB2' HG11 ' A' ' 106' ' ' VAL . 45.6 mttt -65.78 -44.98 84.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.922 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.582 HG23 ' HB ' ' A' ' 107' ' ' VAL . 82.7 mt -52.52 -59.18 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.134 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -55.6 -26.4 43.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.109 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 8.9 mm100 -85.24 25.05 1.04 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 42.6 t 42.3 53.49 4.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -86.46 128.29 57.6 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.612 0.72 . . . . 0.0 111.103 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 128.12 15.58 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.71 2.273 . . . . 0.0 112.351 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 90.45 -38.43 3.22 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.504 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.709 HG11 ' HB2' ' A' ' 98' ' ' LYS . 58.1 t -58.01 -68.3 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.88 0.371 . . . . 0.0 111.155 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.582 ' HB ' HG23 ' A' ' 99' ' ' ILE . 2.1 p -57.75 -31.67 40.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.11 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.481 ' HG2' ' CD2' ' A' ' 20' ' ' LEU . 1.6 tm-20 -64.62 -37.61 88.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 38.1 mt -58.53 -13.94 6.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 53.6 t -104.85 -24.18 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.123 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 81.7 mt -69.73 -41.32 75.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.948 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.532 ' N ' ' HD2' ' A' ' 113' ' ' PRO . 3.8 mt -55.62 -57.85 18.84 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.637 0.732 . . . . 0.0 111.157 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.532 ' HD2' ' N ' ' A' ' 112' ' ' ILE . 53.8 Cg_endo -69.71 -32.24 19.17 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.713 2.275 . . . . 0.0 112.353 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 13.2 tp -51.87 -50.4 61.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.977 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.595 ' HA ' HD12 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -63.66 -44.76 92.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.91 179.895 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -55.13 -35.47 64.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.9 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 120' ' ' GLU . 47.5 mmt-85 -69.76 -57.86 4.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.595 HD12 ' HA ' ' A' ' 115' ' ' ARG . 22.0 mt -37.6 -53.64 1.2 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.93 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.494 ' OE2' ' NE ' ' A' ' 115' ' ' ARG . 45.7 mt-10 -54.87 -39.91 69.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 117' ' ' ARG . 14.3 tt0 -51.88 -33.13 35.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.891 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 9.3 mmp_? -77.81 -36.27 50.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.886 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 11.6 tm0? . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 -179.961 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.842 0.353 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.495 HD23 ' OE1' ' A' ' 108' ' ' GLU . 12.2 tp -71.73 -37.41 70.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.476 ' CE1' ' OE1' ' A' ' 108' ' ' GLU . 16.0 m-85 -63.81 -47.73 79.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 39.1 mt -52.06 -45.75 64.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.858 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 18.2 t90 -49.56 -31.58 10.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 97.6 t -67.91 -52.51 38.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.174 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -42.86 -51.12 5.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 20.0 t30 -46.48 -38.35 9.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 91.8 mt . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 121.614 0.721 . . . . 0.0 111.125 179.941 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.6 t0 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.832 0.348 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.49 ' O ' ' N ' ' A' ' 42' ' ' ASP . 7.7 m-85 -51.62 -33.08 31.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 40' ' ' PHE . 31.1 t -36.21 -30.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.887 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.49 ' N ' ' O ' ' A' ' 40' ' ' PHE . 3.9 p30 -101.76 146.76 27.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.845 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 44' ' ' VAL . . . -69.37 -33.55 73.03 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.469 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.421 ' C ' ' O ' ' A' ' 43' ' ' GLY . 77.4 t -36.36 -57.06 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.878 0.37 . . . . 0.0 111.106 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 27.7 tp -63.89 -50.2 69.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 93.1 t -44.48 -47.83 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.145 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -48.62 -41.64 31.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.07 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -54.35 -43.88 71.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 99.5 t -49.53 -51.73 14.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.118 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.789 HD13 HG11 ' A' ' 83' ' ' VAL . 12.5 mt -58.05 -47.29 87.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.128 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.447 ' CD ' ' HB3' ' A' ' 55' ' ' PRO . 0.3 OUTLIER -35.34 -64.43 0.28 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 179.842 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.434 ' C ' ' O ' ' A' ' 51' ' ' LYS . 11.5 t80 -35.7 -60.44 0.52 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 -63.71 -59.58 4.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.936 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.414 ' HA ' ' HD2' ' A' ' 55' ' ' PRO . 55.6 m-85 -130.06 96.8 24.55 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.651 0.739 . . . . 0.0 110.893 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.447 ' HB3' ' CD ' ' A' ' 51' ' ' LYS . 53.8 Cg_endo -69.84 -18.61 36.53 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.679 2.253 . . . . 0.0 112.315 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 15.3 ptpt -77.21 -33.07 56.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.919 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 80.4 mtp -65.17 -46.9 78.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.871 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 92.4 t -63.53 136.89 25.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.084 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -100.98 -51.81 3.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 8.3 mmt 42.91 43.64 3.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.857 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 69.5 t60 -122.99 -18.24 6.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.817 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 14.0 p30 -124.37 -28.59 3.63 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 58.7 m-85 -68.43 120.78 15.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.917 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.59 HG13 ' HD2' ' A' ' 65' ' ' PRO . 83.9 t -125.76 136.97 29.11 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.631 0.729 . . . . 0.0 111.152 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.59 ' HD2' HG13 ' A' ' 64' ' ' VAL . 53.8 Cg_endo -69.78 125.04 11.68 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.676 2.25 . . . . 0.0 112.368 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -130.33 171.66 12.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.123 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 25.6 p-10 -114.92 25.77 10.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.879 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 70.4 m -123.08 131.67 53.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.82 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 25.7 tp -51.11 -48.15 61.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.909 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -50.01 -47.9 52.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 18.0 tp60 -64.23 -47.11 80.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 15.6 mmtp -46.02 -65.28 0.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 90.6 mt -54.26 -46.22 72.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.2 t -44.21 -44.05 7.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -72.33 -34.65 68.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 42.7 m95 -65.67 -59.77 3.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.956 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -44.51 -43.69 7.85 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.474 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 4.2 t-160 -67.79 -45.93 73.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.805 0.336 . . . . 0.0 110.86 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 5.2 tp -58.07 -18.12 22.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.933 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.709 ' HA ' HD12 ' A' ' 84' ' ' LEU . 57.7 t-20 -75.18 -36.78 61.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.822 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 15.7 mtp180 -105.65 3.45 29.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.845 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.459 ' O ' ' CZ ' ' A' ' 86' ' ' ARG . 23.9 mmtt -111.76 -22.87 10.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.789 HG11 HD13 ' A' ' 50' ' ' ILE . 46.7 t -130.92 -68.79 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.118 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.709 HD12 ' HA ' ' A' ' 80' ' ' ASN . 77.1 mt -40.93 -49.84 3.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.92 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 84' ' ' LEU . 33.3 ttpt -35.31 -57.32 0.6 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.929 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.508 ' H ' ' CD ' ' A' ' 86' ' ' ARG . 0.3 OUTLIER -52.71 -39.11 61.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.838 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.591 HD21 HD23 ' A' ' 118' ' ' LEU . 10.6 mt -86.71 28.93 0.83 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.426 ' C ' ' O ' ' A' ' 87' ' ' LEU . 8.0 m-20 36.09 36.73 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.597 ' CE1' HG13 ' A' ' 110' ' ' VAL . 8.5 t80 -111.57 121.94 46.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 53.3 m -122.54 126.56 48.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.662 HG13 ' HD2' ' A' ' 92' ' ' PRO . 86.3 t -119.55 138.71 26.9 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.613 0.721 . . . . 0.0 111.113 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.662 ' HD2' HG13 ' A' ' 91' ' ' VAL . 53.6 Cg_endo -69.74 -175.01 1.01 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.732 2.288 . . . . 0.0 112.331 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -90.65 -46.8 8.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.87 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -51.56 -20.32 1.88 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.87 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.494 ' CG2' ' HG2' ' A' ' 92' ' ' PRO . 37.6 t -87.89 -38.0 11.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 7.6 mtt -68.91 -43.84 74.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 24.3 mtm180 -52.5 -31.72 36.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.87 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 3.7 mtpm? -80.87 -42.67 21.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.487 HG23 ' HB ' ' A' ' 107' ' ' VAL . 96.6 mt -53.79 -50.41 52.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.144 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -69.97 -19.15 63.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.123 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 102' ' ' CYS . 13.0 mm100 -92.24 28.29 1.96 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.922 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' CYS . . . . . 0.407 ' C ' ' O ' ' A' ' 101' ' ' GLN . 20.0 p 36.99 52.82 1.1 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.686 ' HB1' ' HD2' ' A' ' 104' ' ' PRO . . . -75.73 163.37 67.59 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.574 0.702 . . . . 0.0 111.073 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.686 ' HD2' ' HB1' ' A' ' 103' ' ' ALA . 53.6 Cg_endo -69.77 119.65 6.56 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.7 2.266 . . . . 0.0 112.311 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 104' ' ' PRO . . . 35.1 85.6 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.496 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 57.6 t -134.41 -58.48 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.876 0.369 . . . . 0.0 111.162 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.487 ' HB ' HG23 ' A' ' 99' ' ' ILE . 6.3 p -61.55 -33.98 59.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.121 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.685 ' HA ' HD12 ' A' ' 111' ' ' LEU . 10.6 mm-40 -57.15 -30.74 64.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 35.2 mt -65.17 -25.1 67.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.597 HG13 ' CE1' ' A' ' 89' ' ' PHE . 45.0 t -93.64 -15.97 7.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.107 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.685 HD12 ' HA ' ' A' ' 108' ' ' GLU . 45.0 mt -82.68 -28.49 30.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.948 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.53 ' N ' ' HD2' ' A' ' 113' ' ' PRO . 3.8 mt -58.07 -57.87 22.81 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.612 0.72 . . . . 0.0 111.109 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.53 ' HD2' ' N ' ' A' ' 112' ' ' ILE . 53.9 Cg_endo -69.74 -35.16 13.2 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.659 2.239 . . . . 0.0 112.359 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 6.3 tp -45.89 -38.35 7.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 44.0 ttp180 -73.96 -42.11 60.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -61.39 -34.58 75.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.934 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 29.5 mmt-85 -71.96 -46.21 58.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.591 HD23 HD21 ' A' ' 87' ' ' LEU . 17.0 mt -64.22 -49.97 69.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -49.13 -33.88 12.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -52.25 -51.07 60.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 48.6 mtt85 -72.81 -31.87 65.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.834 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.904 -179.921 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 33.9 mm-40 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.855 0.359 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.0 tp -82.95 -33.88 26.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -67.09 -37.53 84.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.938 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 21.6 mt -62.13 -57.05 13.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.92 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.503 ' CD2' ' HD2' ' A' ' 115' ' ' ARG . 6.5 t90 -39.59 -42.19 1.14 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 69.4 t -65.64 -53.63 36.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.124 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -49.75 -43.96 48.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -51.8 -54.86 24.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 79.7 mt . . . . . 0 C--N 1.329 -0.315 0 CA-C-O 121.612 0.72 . . . . 0.0 111.156 179.913 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.6 t0 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.834 0.349 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.435 ' O ' ' C ' ' A' ' 41' ' ' SER . 2.9 m-85 -45.58 -48.09 14.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 40' ' ' PHE . 2.4 m -35.54 -34.71 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.895 -179.8 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 40' ' ' PHE . 4.7 t70 -46.34 -52.81 12.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.848 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 113.08 -48.97 0.88 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.507 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.453 ' O ' ' HE1' ' A' ' 60' ' ' MET . 47.2 t -58.47 -37.02 61.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.845 0.355 . . . . 0.0 111.089 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 14.3 tp -69.19 -41.77 76.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 91.4 t -49.03 -36.04 7.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.134 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.35 -48.5 75.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.104 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -45.6 -51.21 12.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 81.2 t -49.1 -42.16 14.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.112 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 37.9 mt -66.86 -35.27 74.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.14 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 30.4 tptt -45.13 -51.86 9.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.891 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 43.8 t80 -43.28 -50.94 6.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -73.38 -58.05 3.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.935 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -132.69 120.6 16.71 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.638 0.732 . . . . 0.0 110.876 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -44.98 1.77 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.691 2.261 . . . . 0.0 112.365 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 37.4 mtpt -59.85 -52.4 65.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 64.6 mmm -38.54 -33.21 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.863 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 67.3 t -86.93 129.95 37.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.088 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.513 ' O ' ' CD2' ' A' ' 63' ' ' TYR . 27.3 mt-10 -129.92 71.67 1.46 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.453 ' HE1' ' O ' ' A' ' 44' ' ' VAL . 23.6 mmt -65.8 -39.56 91.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 24.1 t-80 -38.65 -35.22 0.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.839 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -90.46 -52.63 4.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.544 ' CZ ' HD12 ' A' ' 79' ' ' LEU . 41.2 m-85 -64.49 129.5 40.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.412 HG13 ' HD2' ' A' ' 65' ' ' PRO . 97.6 t -123.0 132.09 24.31 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.624 0.726 . . . . 0.0 111.084 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.412 ' HD2' HG13 ' A' ' 64' ' ' VAL . 54.4 Cg_endo -69.71 116.33 4.5 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.682 2.255 . . . . 0.0 112.376 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -114.26 168.47 9.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.097 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -94.58 -67.7 0.84 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 21.5 t -50.25 169.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.85 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.46 ' HA ' ' CG ' ' A' ' 72' ' ' LYS . 0.8 OUTLIER -89.12 -37.68 14.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.421 ' N ' ' HG ' ' A' ' 69' ' ' LEU . 1.5 pp0? -42.7 -42.27 3.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 43.2 tp60 -71.08 -41.49 70.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.46 ' CG ' ' HA ' ' A' ' 69' ' ' LEU . 47.1 mmtt -39.31 -66.73 0.26 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 18.5 mt -43.1 -45.05 5.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.6 t -49.37 -53.45 22.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 43.8 m-20 -59.81 -60.13 4.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.883 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 34.4 m95 -42.29 -50.44 4.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -44.51 -45.42 8.48 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.44 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 49.0 m170 -68.88 -48.02 64.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.833 0.349 . . . . 0.0 110.873 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.544 HD12 ' CZ ' ' A' ' 63' ' ' TYR . 3.0 tp -58.24 -13.54 5.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.528 ' C ' HD21 ' A' ' 80' ' ' ASN . 0.1 OUTLIER -86.13 -30.07 22.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.921 179.912 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 64.6 mtp180 -109.5 0.67 19.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.1 mmpt? -113.78 -37.04 4.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.865 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 97.2 t -107.76 -70.02 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.089 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.494 HD12 ' HA ' ' A' ' 80' ' ' ASN . 73.4 mt -40.49 -61.7 0.88 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.862 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 84' ' ' LEU . 24.0 ttpp -37.01 -51.64 0.94 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -53.5 -44.73 69.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.405 ' N ' ' O ' ' A' ' 84' ' ' LEU . 10.0 mt -87.17 31.85 0.71 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 40.09 36.93 0.34 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.438 ' CD2' HD22 ' A' ' 84' ' ' LEU . 12.9 t80 -109.77 143.33 39.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.569 ' O ' HG23 ' A' ' 91' ' ' VAL . 57.7 m -133.32 163.77 28.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 -179.764 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 90' ' ' SER . 10.8 t -159.53 129.73 3.5 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.59 0.709 . . . . 0.0 111.163 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.672 ' HG2' HG23 ' A' ' 95' ' ' VAL . 53.7 Cg_endo -69.78 155.27 66.28 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.658 2.239 . . . . 0.0 112.37 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -61.52 -34.95 76.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.864 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -56.04 -45.63 79.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.672 HG23 ' HG2' ' A' ' 92' ' ' PRO . 87.7 t -71.19 -36.83 63.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.115 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 4.5 mtt -58.31 -50.16 74.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 20.7 mtp85 -47.81 -54.19 13.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.542 ' CB ' HG11 ' A' ' 106' ' ' VAL . 14.5 mttm -53.99 -59.99 3.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.915 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 71.8 mt -45.25 -49.58 3.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.116 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -60.11 -27.02 66.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.111 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -84.45 12.8 6.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.942 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 99.8 m 56.43 46.58 20.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -81.08 136.75 49.97 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.608 0.718 . . . . 0.0 111.078 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 131.43 21.3 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.747 2.298 . . . . 0.0 112.37 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.453 ' O ' ' C ' ' A' ' 106' ' ' VAL . . . 84.55 -58.64 4.98 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.505 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.542 HG11 ' CB ' ' A' ' 98' ' ' LYS . 39.3 t -33.81 -53.63 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.875 0.369 . . . . 0.0 111.131 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.523 HG13 ' N ' ' A' ' 108' ' ' GLU . 8.8 p -67.84 -46.66 81.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.122 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.523 ' N ' HG13 ' A' ' 107' ' ' VAL . 42.0 mp0 -53.93 -33.8 57.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.465 HD12 ' HA ' ' A' ' 106' ' ' VAL . 38.6 mt -59.85 -21.3 60.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.948 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 2.6 t -102.21 -16.59 7.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.156 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 72.8 mt -74.49 -43.29 56.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.921 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.526 HG22 ' N ' ' A' ' 113' ' ' PRO . 3.3 mt -52.24 -58.45 11.49 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.582 0.706 . . . . 0.0 111.136 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.526 ' N ' HG22 ' A' ' 112' ' ' ILE . 53.6 Cg_endo -69.76 -18.05 37.23 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.631 2.221 . . . . 0.0 112.346 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 13.5 tp -69.13 -45.54 69.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.503 ' HD2' ' CD2' ' A' ' 23' ' ' TRP . 37.8 ttt-85 -79.85 -44.8 19.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' GLN . . . . . 0.402 ' CG ' ' N ' ' A' ' 117' ' ' ARG . 5.4 pt20 -47.0 -42.39 17.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.402 ' N ' ' CG ' ' A' ' 116' ' ' GLN . 15.7 mmm180 -69.07 -54.83 13.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 84.4 mt -41.16 -54.53 2.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.866 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -44.98 -40.73 6.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -53.36 -44.58 68.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.871 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 47.3 mtp85 -76.0 -52.9 9.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.849 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 6.0 tp60 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 -179.941 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.768 ' HA ' HD12 ' A' ' 22' ' ' LEU . 20.6 mm-40 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.855 0.36 . . . . 0.0 110.961 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.7 tp -65.09 -46.12 82.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.928 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -50.33 -44.34 54.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.768 HD12 ' HA ' ' A' ' 19' ' ' GLN . 10.5 mt -46.68 -48.4 20.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.913 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.488 ' CE2' ' HD3' ' A' ' 115' ' ' ARG . 10.6 t90 -47.21 -47.31 24.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.4 t -58.92 -40.18 79.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.099 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -56.93 -46.9 81.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -45.11 -33.61 2.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 6.1 mt . . . . . 0 C--N 1.33 -0.278 0 CA-C-O 121.603 0.716 . . . . 0.0 111.133 179.938 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.858 0.361 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.438 ' O ' ' C ' ' A' ' 41' ' ' SER . 18.2 m-85 -59.93 -49.35 78.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 40' ' ' PHE . 40.3 t -35.14 -39.15 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.84 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -54.34 -55.95 23.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.864 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 111.66 -45.08 1.37 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.507 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 74.7 t -45.71 -36.91 2.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.891 0.377 . . . . 0.0 111.138 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 22.2 tp -62.01 -51.2 69.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.968 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 91.2 t -39.73 -50.3 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.09 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -45.8 -47.53 15.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.106 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -49.06 -48.68 43.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 92.9 t -46.82 -53.22 3.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.177 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.447 ' O ' ' C ' ' A' ' 51' ' ' LYS . 77.0 mt -51.25 -46.55 33.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.156 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 50' ' ' ILE . 13.5 tptm -34.55 -58.56 0.49 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -40.94 -47.77 3.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -75.09 -52.74 10.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -138.84 112.75 8.3 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.634 0.73 . . . . 0.0 110.891 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.71 -43.99 2.38 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.674 2.249 . . . . 0.0 112.333 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.408 ' HG3' ' N ' ' A' ' 57' ' ' MET . 15.8 ptpt -59.95 -42.24 93.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.408 ' N ' ' HG3' ' A' ' 56' ' ' LYS . 48.1 mmm -49.63 -53.31 24.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.903 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 51.6 t -74.73 134.28 29.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.138 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -95.46 -58.0 2.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 3.7 mmt 59.55 45.98 12.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 8.7 m170 -131.68 -37.68 1.18 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.834 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -94.99 -45.98 7.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -58.89 147.59 33.35 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.649 HG13 ' HD2' ' A' ' 65' ' ' PRO . 85.2 t -155.83 138.67 10.59 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.604 0.716 . . . . 0.0 111.111 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.649 ' HD2' HG13 ' A' ' 64' ' ' VAL . 54.1 Cg_endo -69.78 127.62 14.83 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.647 2.231 . . . . 0.0 112.346 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -139.57 160.31 40.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.118 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 26.5 m120 -88.21 -55.01 3.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 41.7 t -43.04 160.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.826 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' A' ' 70' ' ' GLN . 12.2 mt -82.46 -44.78 15.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.913 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 69' ' ' LEU . 3.9 tm0? -38.02 -45.57 0.91 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.43 ' O ' ' C ' ' A' ' 72' ' ' LYS . 60.6 tp60 -68.26 -49.48 60.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.906 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 71' ' ' GLN . 17.1 mmtp -36.2 -56.42 0.76 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 77.7 mt -70.81 -35.75 72.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.935 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 39.4 t -51.1 -56.78 10.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -61.07 -61.92 2.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.885 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 37.1 m95 -41.3 -50.84 3.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.945 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -49.7 -48.17 36.71 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.492 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.463 ' O ' ' CG ' ' A' ' 82' ' ' LYS . 6.8 m-70 -64.94 -31.08 72.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.84 0.352 . . . . 0.0 110.862 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.8 tp -71.43 -12.75 61.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.711 ' C ' HD21 ' A' ' 80' ' ' ASN . 0.1 OUTLIER -79.6 -32.63 41.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.909 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 39.1 mtm180 -109.7 1.7 19.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.463 ' CG ' ' O ' ' A' ' 78' ' ' HIS . 27.4 mmtt -111.64 -30.23 7.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.425 ' O ' ' C ' ' A' ' 84' ' ' LEU . 93.6 t -121.38 -71.42 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.171 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.595 HD12 ' HA ' ' A' ' 80' ' ' ASN . 65.6 mt -35.89 -60.33 0.54 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.94 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 12.5 tptm -46.39 -45.44 17.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 20.6 mmt180 -61.55 -36.85 81.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 15.3 mt -94.04 33.16 1.37 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.927 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 43.16 29.49 0.21 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.923 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -108.31 157.17 18.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.856 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 59.5 p -155.15 142.22 19.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.839 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.54 HG13 ' HD2' ' A' ' 92' ' ' PRO . 72.2 t -145.31 135.33 11.77 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.661 0.743 . . . . 0.0 111.101 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.54 ' HD2' HG13 ' A' ' 91' ' ' VAL . 53.9 Cg_endo -69.71 167.01 25.62 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.678 2.252 . . . . 0.0 112.336 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -66.68 -34.61 78.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -54.95 -47.62 74.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.834 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.47 ' HB ' ' CG1' ' A' ' 91' ' ' VAL . 22.8 t -59.41 -47.62 90.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.157 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 7.7 mtt -57.37 -52.55 64.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.892 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 18.0 mtm-85 -39.48 -46.51 1.71 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.83 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.573 ' CB ' HG11 ' A' ' 106' ' ' VAL . 33.1 mttp -61.0 -54.47 44.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.846 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 82.2 mt -49.16 -62.94 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.131 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.425 ' HB1' ' HB3' ' A' ' 72' ' ' LYS . . . -52.31 -24.94 8.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.055 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' GLN . . . . . 0.434 ' O ' ' C ' ' A' ' 102' ' ' CYS . 28.2 mm-40 -92.44 31.66 1.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' CYS . . . . . 0.434 ' C ' ' O ' ' A' ' 101' ' ' GLN . 4.8 t 35.79 44.49 0.23 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.579 ' HB3' HG21 ' A' ' 106' ' ' VAL . . . -76.67 143.05 71.05 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.541 0.686 . . . . 0.0 111.115 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.862 ' O ' HG23 ' A' ' 106' ' ' VAL . 53.7 Cg_endo -69.77 152.28 69.21 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.707 2.272 . . . . 0.0 112.306 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 104' ' ' PRO . . . 35.56 59.3 0.85 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.481 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.862 HG23 ' O ' ' A' ' 104' ' ' PRO . 91.5 t -131.01 -61.71 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.866 0.365 . . . . 0.0 111.126 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 12.0 p -60.75 -38.13 77.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.121 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 31.4 mp0 -58.26 -38.98 78.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 56.6 mt -53.33 -16.82 1.48 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.9 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 48.4 t -104.77 -28.04 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.142 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 94.3 mt -67.56 -42.83 81.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.945 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.52 ' N ' ' HD2' ' A' ' 113' ' ' PRO . 3.1 mt -48.96 -58.41 8.7 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.646 0.736 . . . . 0.0 111.129 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.52 ' HD2' ' N ' ' A' ' 112' ' ' ILE . 54.3 Cg_endo -69.72 -33.35 16.94 Favored 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.692 2.262 . . . . 0.0 112.361 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 16.8 tp -41.87 -45.63 3.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.956 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.488 ' HD3' ' CE2' ' A' ' 23' ' ' TRP . 13.1 mtm180 -67.41 -58.43 4.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.866 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 115' ' ' ARG . 10.2 mt-30 -34.4 -38.92 0.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.918 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -78.38 -52.04 9.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 83.5 mt -51.68 -46.96 64.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.933 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -58.34 -42.19 86.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -51.32 -55.17 19.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 29.8 mtt85 -67.24 -51.37 53.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 80.1 mm-40 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.855 0.36 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.46 HD21 ' HG3' ' A' ' 108' ' ' GLU . 6.5 tp -67.43 -30.96 70.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -70.4 -25.55 63.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.933 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 70.0 mt -81.21 -46.37 14.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.925 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.731 ' CZ2' HD11 ' A' ' 27' ' ' ILE . 27.7 t90 -47.76 -44.22 27.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 47.7 t -58.32 -26.9 31.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.071 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -71.92 -46.97 55.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.489 ' OD1' ' N ' ' A' ' 27' ' ' ILE . 0.6 OUTLIER -52.67 -43.58 65.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 -179.923 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.731 HD11 ' CZ2' ' A' ' 23' ' ' TRP . 88.4 mt . . . . . 0 C--N 1.329 -0.309 0 CA-C-O 121.632 0.729 . . . . 0.0 111.074 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.1 t70 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.815 0.341 . . . . 0.0 110.836 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.41 ' O ' ' C ' ' A' ' 41' ' ' SER . 6.1 m-85 -47.24 -44.14 22.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 40' ' ' PHE . 7.3 p -37.73 -33.25 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.879 -179.793 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -56.26 -51.3 68.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 105.57 -42.36 1.92 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.489 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 69.9 t -55.74 -35.87 41.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.866 0.365 . . . . 0.0 111.131 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.0 tp -64.01 -50.27 69.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.966 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 85.9 t -49.7 -44.37 19.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.147 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -53.6 -37.56 63.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.085 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -66.14 -39.02 89.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.656 HG13 HD13 ' A' ' 27' ' ' ILE . 57.3 t -57.2 -39.8 69.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.145 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 46.9 mt -64.81 -34.21 68.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.147 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.426 ' N ' HG21 ' A' ' 58' ' ' VAL . 27.1 tptt -43.02 -54.26 4.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -44.04 -55.84 4.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.457 ' CD2' ' HB3' ' A' ' 118' ' ' LEU . 59.8 m-85 -64.87 -56.46 13.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 -139.95 108.87 7.02 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.656 0.741 . . . . 0.0 110.873 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -31.79 19.68 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.714 2.276 . . . . 0.0 112.323 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 14.8 pttp -69.22 -44.24 72.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.926 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 19.0 mmm -56.38 -29.43 61.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.426 HG21 ' N ' ' A' ' 51' ' ' LYS . 90.6 t -84.26 128.29 39.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.124 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -123.66 84.04 2.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 6.9 mmt -83.09 56.44 3.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 8.2 m170 -130.53 -33.57 1.64 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -93.64 -47.99 6.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -63.91 125.17 23.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.94 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.631 HG13 ' HD2' ' A' ' 65' ' ' PRO . 89.3 t -121.3 137.56 26.98 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.629 0.728 . . . . 0.0 111.135 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.631 ' HD2' HG13 ' A' ' 64' ' ' VAL . 53.4 Cg_endo -69.75 107.17 1.8 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.652 2.235 . . . . 0.0 112.357 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.414 ' O ' ' NZ ' ' A' ' 72' ' ' LYS . . . -109.53 176.52 5.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.092 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 57.0 m-20 -117.3 -39.27 3.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.0 m -59.17 171.79 0.69 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.403 ' C ' ' CD1' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -82.0 -58.05 3.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.939 179.947 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 69' ' ' LEU . 13.6 pt20 -38.07 -47.3 1.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.966 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -54.69 -47.5 73.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.414 ' NZ ' ' O ' ' A' ' 66' ' ' ALA . 0.0 OUTLIER -49.44 -64.37 0.83 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.901 179.939 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.749 HD21 ' HA ' ' A' ' 97' ' ' ARG . 22.9 mt -50.71 -46.33 58.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.897 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 6.2 t -55.56 -47.65 76.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.85 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 17.9 m-20 -61.03 -59.32 5.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.49 ' CZ2' HG21 ' A' ' 99' ' ' ILE . 34.9 m95 -48.98 -51.56 29.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -38.36 -50.94 2.31 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.479 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 17.7 m80 -62.64 -54.49 38.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.862 0.363 . . . . 0.0 110.891 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.0 tp -46.14 -22.49 0.23 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.936 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.707 ' HA ' HD12 ' A' ' 84' ' ' LEU . 37.9 t-20 -77.83 -38.63 45.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 19.2 mmm180 -103.32 4.65 36.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 13.8 mmtm -115.16 -31.88 5.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.417 ' O ' ' C ' ' A' ' 84' ' ' LEU . 78.6 t -117.16 -74.44 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.122 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.707 HD12 ' HA ' ' A' ' 80' ' ' ASN . 73.7 mt -36.52 -58.31 0.72 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 19.6 ttpp -38.48 -53.15 1.57 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 29.8 mmt180 -57.36 -38.45 74.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.81 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 84' ' ' LEU . 18.3 mt -84.62 29.43 0.61 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.927 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 60.6 t30 42.72 34.84 0.62 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -111.84 144.11 41.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 57.7 m -134.36 147.51 50.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.673 HG13 ' HD2' ' A' ' 92' ' ' PRO . 97.7 t -147.83 138.89 13.34 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.581 0.705 . . . . 0.0 111.158 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.673 ' HD2' HG13 ' A' ' 91' ' ' VAL . 53.5 Cg_endo -69.8 163.0 39.94 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.702 2.268 . . . . 0.0 112.319 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -73.31 -20.32 60.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -72.43 -49.19 35.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.905 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 16.4 t -60.64 -32.98 53.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.147 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 11.6 mtm -63.28 -44.59 94.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.871 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.749 ' HA ' HD21 ' A' ' 73' ' ' LEU . 41.1 mtt180 -49.9 -52.3 34.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.84 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.441 ' HB2' HG11 ' A' ' 106' ' ' VAL . 30.2 mttm -53.1 -58.36 7.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.88 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.49 HG21 ' CZ2' ' A' ' 76' ' ' TRP . 83.4 mt -44.37 -56.07 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.078 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -61.57 -23.64 66.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.113 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 9.9 mm-40 -83.96 16.48 2.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.935 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 63.0 m 51.17 54.38 11.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -96.26 121.4 60.51 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.625 0.726 . . . . 0.0 111.095 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.71 128.83 16.64 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.7 2.267 . . . . 0.0 112.372 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 101.17 -51.28 0.96 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.464 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.441 HG11 ' HB2' ' A' ' 98' ' ' LYS . 40.3 t -47.23 -72.19 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.867 0.365 . . . . 0.0 111.118 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 6.0 p -49.92 -34.01 9.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.101 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.479 ' OE1' HD12 ' A' ' 111' ' ' LEU . 2.3 tp10 -56.41 -44.35 80.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.912 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 34.7 mt -57.54 -19.35 24.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 2.1 t -94.94 -18.62 6.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.172 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.479 HD12 ' OE1' ' A' ' 108' ' ' GLU . 90.5 mt -80.49 -29.65 37.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.532 ' N ' ' HD2' ' A' ' 113' ' ' PRO . 3.8 mt -62.72 -57.99 19.08 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.628 0.728 . . . . 0.0 111.145 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.532 ' HD2' ' N ' ' A' ' 112' ' ' ILE . 54.0 Cg_endo -69.81 -35.43 12.51 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.661 2.241 . . . . 0.0 112.343 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 13.5 tp -50.43 -60.35 3.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.919 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.421 ' HG3' ' N ' ' A' ' 116' ' ' GLN . 46.6 ptt85 -55.19 -41.6 72.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' GLN . . . . . 0.421 ' N ' ' HG3' ' A' ' 115' ' ' ARG . 40.0 mt-30 -53.8 -34.59 59.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.922 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -76.03 -40.38 53.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.839 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.457 ' HB3' ' CD2' ' A' ' 53' ' ' TYR . 68.5 mt -66.27 -34.36 77.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -66.47 -27.82 68.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -93.65 -17.2 23.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.845 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 4.9 mmm180 -85.28 -37.64 19.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.875 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 -179.982 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 71.3 mm-40 . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.795 0.331 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.0 tp -76.74 -28.27 55.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -72.64 -24.35 61.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.955 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 34.5 mt -80.9 -49.25 11.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.937 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.476 ' CH2' HG11 ' A' ' 49' ' ' VAL . 12.7 t90 -42.47 -34.89 0.91 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.952 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 74.4 t -67.25 -43.54 88.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.133 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -52.62 -51.22 60.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 31.3 t30 -43.71 -51.83 6.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 65.7 mt . . . . . 0 C--N 1.33 -0.278 0 CA-C-O 121.573 0.701 . . . . 0.0 111.173 179.908 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 40' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.834 0.349 . . . . 0.0 110.864 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.441 ' O ' ' C ' ' A' ' 41' ' ' SER . 8.2 m-85 -37.72 -41.14 0.47 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.46 ' CB ' ' SG ' ' A' ' 102' ' ' CYS . 77.9 p -34.76 -45.66 0.26 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.866 -179.814 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -79.81 154.69 28.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -84.61 38.17 2.92 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.503 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 58.9 t -115.14 -41.81 3.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.892 0.377 . . . . 0.0 111.143 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.403 ' O ' HD13 ' A' ' 45' ' ' LEU . 0.1 OUTLIER -69.2 -47.65 64.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.923 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 57.5 t -50.57 -52.56 15.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.139 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -38.97 -58.16 1.15 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.073 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -42.02 -51.26 4.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.476 HG11 ' CH2' ' A' ' 23' ' ' TRP . 97.6 t -46.65 -38.96 3.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.142 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.498 HG12 HD11 ' A' ' 118' ' ' LEU . 16.5 mt -77.04 -44.05 31.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 50' ' ' ILE . 11.2 tptm -36.54 -40.81 0.27 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 27.9 t80 -52.78 -55.55 22.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -75.22 -48.06 25.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.412 ' HA ' ' HD2' ' A' ' 55' ' ' PRO . 46.3 m-85 -129.91 95.23 29.24 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.603 0.716 . . . . 0.0 110.829 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 54' ' ' PHE . 53.8 Cg_endo -69.72 -33.04 17.54 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.668 2.245 . . . . 0.0 112.361 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.9 mmmt -71.57 -50.92 26.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 25.3 mmm -43.99 -42.19 5.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.899 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 58.1 t -80.7 123.94 37.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.128 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.9 mp0 -114.32 85.78 2.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.402 ' O ' ' N ' ' A' ' 62' ' ' ASN . 6.1 mmt -61.38 -46.37 90.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.848 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 35.0 t60 -38.76 -31.14 0.05 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.851 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.402 ' N ' ' O ' ' A' ' 60' ' ' MET . 35.4 m-20 -91.43 -46.46 7.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -79.75 129.61 34.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.96 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.664 HG13 ' HD2' ' A' ' 65' ' ' PRO . 90.8 t -135.11 138.79 30.08 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.622 0.725 . . . . 0.0 111.115 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.664 ' HD2' HG13 ' A' ' 64' ' ' VAL . 53.9 Cg_endo -69.77 104.19 1.28 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.697 2.265 . . . . 0.0 112.345 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -97.72 169.45 9.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.123 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -121.65 45.77 2.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.878 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 90.9 p -157.15 120.57 4.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.435 ' O ' ' C ' ' A' ' 70' ' ' GLN . 0.7 OUTLIER -39.33 -60.93 0.85 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.91 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 69' ' ' LEU . 9.9 mm100 -35.44 -47.73 0.45 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.412 ' O ' ' C ' ' A' ' 72' ' ' LYS . 8.1 tm0? -65.62 -49.97 66.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 71' ' ' GLN . 5.7 mmpt? -36.89 -66.59 0.22 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 56.6 mt -48.69 -50.76 31.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.9 t -40.8 -46.05 2.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 35.8 m-20 -68.12 -55.3 12.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.523 ' CZ2' HG21 ' A' ' 99' ' ' ILE . 44.0 m95 -42.12 -49.22 4.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.931 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -48.64 -44.45 29.84 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.508 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 12.2 m170 -67.55 -33.62 75.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.86 0.362 . . . . 0.0 110.918 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 5.3 tp -72.99 -10.11 59.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.911 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.619 ' HA ' HD12 ' A' ' 84' ' ' LEU . 0.1 OUTLIER -88.2 -28.86 20.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 179.891 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 70.2 mtt180 -109.37 0.02 19.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 30.0 mmtt -110.65 -36.31 5.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.578 HG12 HD12 ' A' ' 87' ' ' LEU . 85.3 t -110.71 -69.95 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.138 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.619 HD12 ' HA ' ' A' ' 80' ' ' ASN . 82.8 mt -41.59 -61.7 1.02 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 14.7 tptp -41.91 -50.55 4.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -62.57 -31.33 72.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.87 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.578 HD12 HG12 ' A' ' 83' ' ' VAL . 13.1 mt -96.44 29.18 2.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 42.33 34.12 0.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -109.22 140.89 42.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 53.3 m -132.57 132.3 42.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 10.5 t -129.83 131.22 23.38 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.672 0.748 . . . . 0.0 111.094 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.483 ' HG2' ' CG2' ' A' ' 95' ' ' VAL . 53.9 Cg_endo -69.7 148.01 64.48 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.669 2.246 . . . . 0.0 112.381 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -61.49 -34.06 74.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.834 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -58.66 -37.14 75.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.825 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.483 ' CG2' ' HG2' ' A' ' 92' ' ' PRO . 18.6 t -72.72 -42.91 61.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.141 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 5.4 mtm -58.04 -45.75 86.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 26.7 mtt-85 -47.73 -41.0 21.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.694 ' HB2' HG11 ' A' ' 106' ' ' VAL . 22.7 mtpt -72.71 -45.77 57.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.948 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.536 HG13 HG12 ' A' ' 106' ' ' VAL . 60.7 mt -51.58 -46.22 36.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.124 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.74 -22.91 65.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.094 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -81.46 1.2 34.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' CYS . . . . . 0.46 ' SG ' ' CB ' ' A' ' 41' ' ' SER . 12.7 m 61.76 48.54 5.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -87.76 139.25 31.2 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.594 0.711 . . . . 0.0 111.124 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 124.05 10.68 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.645 2.23 . . . . 0.0 112.348 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.427 ' O ' ' C ' ' A' ' 106' ' ' VAL . . . 100.76 -60.47 0.64 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.478 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.694 HG11 ' HB2' ' A' ' 98' ' ' LYS . 44.1 t -33.72 -73.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.896 0.379 . . . . 0.0 111.118 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.59 HG13 ' N ' ' A' ' 108' ' ' GLU . 10.8 p -44.7 -49.75 2.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.161 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.59 ' N ' HG13 ' A' ' 107' ' ' VAL . 26.7 mt-10 -52.53 -45.96 66.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.919 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 18.6 mt -53.64 -16.95 1.82 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 82.5 t -105.57 -19.64 6.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.102 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 46.9 mt -82.7 -40.72 20.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.53 ' N ' ' HD2' ' A' ' 113' ' ' PRO . 3.8 mt -50.14 -57.95 11.14 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.639 0.733 . . . . 0.0 111.166 179.806 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.53 ' HD2' ' N ' ' A' ' 112' ' ' ILE . 54.1 Cg_endo -69.73 -22.44 32.21 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.724 2.282 . . . . 0.0 112.353 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 22.3 tp -55.69 -60.47 3.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.46 ' HD2' ' N ' ' A' ' 116' ' ' GLN . 6.1 ppt_? -59.3 -39.95 84.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' GLN . . . . . 0.46 ' N ' ' HD2' ' A' ' 115' ' ' ARG . 10.9 mt-30 -51.58 -18.95 1.29 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.947 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 23.2 mmm180 -96.9 -49.59 4.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.901 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.498 HD11 HG12 ' A' ' 50' ' ' ILE . 66.9 mt -59.19 -40.68 86.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -68.97 -22.48 64.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.498 ' N ' ' OE1' ' A' ' 120' ' ' GLU . 0.0 OUTLIER -83.29 -40.84 19.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.858 -179.914 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 20.9 mtp85 -72.55 -44.35 62.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 -179.939 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 57.0 mm-40 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.808 0.337 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.7 tp -73.77 -43.35 59.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -61.94 -53.53 54.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.928 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 70.7 mt -48.08 -52.2 21.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.905 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.525 ' CD2' ' HD2' ' A' ' 115' ' ' ARG . 4.8 t90 -43.35 -56.34 3.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 94.5 t -50.88 -61.01 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.112 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -45.68 -51.42 12.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -45.44 -29.84 1.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.532 ' CD1' HG13 ' A' ' 49' ' ' VAL . 28.0 mt . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 121.632 0.729 . . . . 0.0 111.084 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.861 0.362 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -80.23 -44.41 19.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.8 m -52.28 -36.0 51.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.842 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.908 ' OD1' HG23 ' A' ' 44' ' ' VAL . 5.1 t0 -67.93 -38.72 83.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.829 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 100.86 -42.05 2.02 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.516 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.908 HG23 ' OD1' ' A' ' 42' ' ' ASP . 90.9 t -44.7 -37.18 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.857 0.36 . . . . 0.0 111.112 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.5 HD13 ' O ' ' A' ' 45' ' ' LEU . 0.3 OUTLIER -71.55 -45.75 61.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.968 179.939 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 93.2 t -45.29 -41.62 2.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.113 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.522 ' HA ' HD12 ' A' ' 50' ' ' ILE . . . -55.38 -52.93 61.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.058 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -46.54 -39.59 11.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.883 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.532 HG13 ' CD1' ' A' ' 27' ' ' ILE . 62.5 t -60.15 -38.29 76.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.137 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.522 HD12 ' HA ' ' A' ' 47' ' ' ALA . 23.6 mt -66.72 -29.75 47.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.112 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.431 ' HA ' ' CG2' ' A' ' 58' ' ' VAL . 19.1 tptm -50.52 -40.34 51.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -59.04 -27.13 65.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.87 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.558 ' CD2' ' HB3' ' A' ' 118' ' ' LEU . 66.3 m-85 -96.46 -67.21 0.86 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.963 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -133.33 129.51 20.76 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.648 0.737 . . . . 0.0 110.831 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -51.06 0.41 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.718 2.279 . . . . 0.0 112.345 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.8 ptmt -57.1 -27.98 62.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 74.7 mmm -72.17 -32.55 66.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.431 ' CG2' ' HA ' ' A' ' 51' ' ' LYS . 85.1 t -55.05 -68.88 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.124 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 61.05 52.74 3.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 11.5 mmt -89.38 48.37 1.6 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.859 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 40.6 t-80 -120.46 -49.55 2.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.828 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.496 ' OD1' ' N ' ' A' ' 63' ' ' TYR . 7.3 p30 -68.23 -51.42 45.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.496 ' N ' ' OD1' ' A' ' 62' ' ' ASN . 36.4 m-85 -57.9 154.6 11.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.601 HG13 ' HD2' ' A' ' 65' ' ' PRO . 84.7 t -145.55 136.96 12.75 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.638 0.732 . . . . 0.0 111.144 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.601 ' HD2' HG13 ' A' ' 64' ' ' VAL . 54.1 Cg_endo -69.75 114.2 3.62 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.714 2.276 . . . . 0.0 112.333 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -120.77 154.15 36.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.101 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -105.45 37.51 2.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 68.8 p -132.43 129.59 39.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.827 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.503 ' O ' HD13 ' A' ' 69' ' ' LEU . 0.7 OUTLIER -49.48 -57.34 7.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.943 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -38.69 -55.57 1.44 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.427 ' O ' ' C ' ' A' ' 72' ' ' LYS . 33.1 tp60 -58.17 -52.38 65.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.892 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 71' ' ' GLN . 13.1 mmtp -36.03 -56.12 0.74 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.88 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 15.8 mt -60.32 -43.17 96.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.924 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.9 t -47.47 -60.47 2.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 11.3 m-20 -45.24 -56.18 5.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.86 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.519 ' CZ2' HG21 ' A' ' 99' ' ' ILE . 40.7 m95 -47.02 -59.45 3.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.93 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -40.4 -41.13 2.15 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.515 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 34.6 m-70 -73.88 -47.02 41.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.801 0.334 . . . . 0.0 110.838 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.3 tp -58.96 -11.39 3.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.944 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.527 ' HA ' HD12 ' A' ' 84' ' ' LEU . 52.8 t-20 -84.35 -35.87 22.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 87.8 mtm180 -107.92 0.67 22.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -109.73 -29.74 8.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.935 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 53.8 t -116.75 -74.38 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.14 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.527 HD12 ' HA ' ' A' ' 80' ' ' ASN . 77.5 mt -38.97 -51.32 1.79 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 84' ' ' LEU . 28.6 tttm -36.76 -49.97 0.81 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.933 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 23.4 mmt180 -56.05 -40.0 72.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.481 ' N ' ' O ' ' A' ' 84' ' ' LEU . 17.6 mt -85.47 27.47 0.82 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 38.6 t30 41.01 30.49 0.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.937 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -103.79 136.51 43.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.921 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 79.2 p -128.75 145.27 51.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.579 HG13 ' HD2' ' A' ' 92' ' ' PRO . 91.2 t -142.14 136.4 14.94 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.642 0.734 . . . . 0.0 111.104 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.579 ' HD2' HG13 ' A' ' 91' ' ' VAL . 53.3 Cg_endo -69.82 155.78 64.85 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.63 2.22 . . . . 0.0 112.321 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -62.17 -20.03 63.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.897 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -71.07 -43.76 67.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.535 HG23 ' HG2' ' A' ' 92' ' ' PRO . 26.0 t -64.75 -28.79 45.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.115 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 10.3 mtm -73.23 -51.03 19.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 88.4 mtt180 -45.97 -40.2 10.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.802 ' CB ' HG11 ' A' ' 106' ' ' VAL . 72.6 mttt -64.49 -56.26 15.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.519 HG21 ' CZ2' ' A' ' 76' ' ' TRP . 77.8 mt -48.59 -56.73 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.154 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -59.63 -19.41 49.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 32.3 mm-40 -90.75 24.86 2.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 79.9 m 41.52 39.47 1.09 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -82.13 126.6 74.24 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.531 0.681 . . . . 0.0 111.159 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 134.46 28.03 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.672 2.248 . . . . 0.0 112.314 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 73.33 44.33 34.82 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.5 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.802 HG11 ' CB ' ' A' ' 98' ' ' LYS . 46.1 t -134.04 -59.24 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.822 0.344 . . . . 0.0 111.087 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.44 ' HB ' HG23 ' A' ' 99' ' ' ILE . 10.1 p -61.97 -37.81 79.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.134 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.403 ' HA ' HD12 ' A' ' 111' ' ' LEU . 55.9 mp0 -58.18 -38.41 76.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 19.6 mt -57.45 -19.23 22.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 46.3 t -104.35 -16.0 7.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.121 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.403 HD12 ' HA ' ' A' ' 108' ' ' GLU . 72.6 mt -84.63 -31.77 24.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.939 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.544 ' N ' ' HD2' ' A' ' 113' ' ' PRO . 4.7 mt -59.38 -57.44 26.97 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.6 0.714 . . . . 0.0 111.074 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.544 ' HD2' ' N ' ' A' ' 112' ' ' ILE . 53.6 Cg_endo -69.73 -26.58 27.58 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.652 2.235 . . . . 0.0 112.342 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 6.8 tp -63.97 -56.13 17.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.94 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.525 ' HD2' ' CD2' ' A' ' 23' ' ' TRP . 44.9 ttt-85 -56.86 -43.69 81.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.839 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 -51.63 -43.59 62.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 60.3 mmt-85 -69.9 -45.64 67.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.558 ' HB3' ' CD2' ' A' ' 53' ' ' TYR . 25.3 mt -52.16 -50.67 61.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -57.4 -38.06 73.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -59.82 -49.86 76.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.84 -41.46 82.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.959 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 74.3 mm-40 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.809 0.338 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.456 HD11 ' HB3' ' A' ' 111' ' ' LEU . 5.4 tp -67.07 -30.52 70.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -71.12 -21.57 62.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 63.5 mt -80.33 -46.14 16.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.924 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 3.8 t90 -45.67 -60.91 1.94 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 74.2 t -46.55 -42.5 5.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.144 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -43.38 -46.28 6.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 23.1 t30 -53.27 -52.89 57.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 27.5 mt . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 121.604 0.716 . . . . 0.0 111.149 179.902 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.498 ' O ' ' N ' ' A' ' 41' ' ' SER . 57.2 m-20 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.808 0.337 . . . . 0.0 110.827 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.438 ' C ' ' O ' ' A' ' 39' ' ' ASP . 3.3 m-85 -35.24 -31.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' ' 39' ' ' ASP . 30.0 t -42.73 -48.01 5.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.81 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.53 132.91 38.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.869 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -72.89 -36.31 57.64 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.493 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 47.5 t -46.54 -42.44 5.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.844 0.354 . . . . 0.0 111.117 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.474 ' CD2' ' HB3' ' A' ' 39' ' ' ASP . 32.4 tp -64.5 -56.1 16.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.931 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 58.2 t -39.35 -41.11 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.15 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -49.38 -44.9 45.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.108 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -58.04 -38.15 75.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 95.5 t -55.99 -32.8 34.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.116 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 34.3 mt -75.47 -34.68 30.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.094 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 17.2 tptp -43.78 -45.35 7.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -53.58 -40.53 65.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.58 ' CD1' HD13 ' A' ' 118' ' ' LEU . 83.5 m-85 -81.68 -62.25 1.7 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.883 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.406 ' CZ ' ' HB3' ' A' ' 121' ' ' ARG . 27.9 m-85 -133.12 122.54 17.39 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.638 0.733 . . . . 0.0 110.847 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -50.96 0.42 Allowed 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.695 2.263 . . . . 0.0 112.327 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 57' ' ' MET . 29.6 mttm -53.88 -56.6 16.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.925 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.408 ' C ' ' O ' ' A' ' 56' ' ' LYS . 33.5 mmm -36.74 -36.85 0.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 43.6 t -81.47 132.37 31.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.108 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -133.24 99.39 4.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 8.5 mmt -95.18 55.6 1.8 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 8.7 m80 -128.68 -30.5 2.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.566 ' ND2' ' CD1' ' A' ' 63' ' ' TYR . 4.4 p-10 -94.49 -57.75 2.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.566 ' CD1' ' ND2' ' A' ' 62' ' ' ASN . 24.5 m-85 -56.26 155.28 6.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.932 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.647 HG13 ' HD2' ' A' ' 65' ' ' PRO . 87.2 t -148.66 138.7 12.93 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.591 0.71 . . . . 0.0 111.164 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.647 ' HD2' HG13 ' A' ' 64' ' ' VAL . 53.6 Cg_endo -69.79 108.61 2.12 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.693 2.262 . . . . 0.0 112.338 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.528 ' HB3' ' HB3' ' A' ' 71' ' ' GLN . . . -125.14 161.77 26.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.083 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -118.19 25.07 10.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.85 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.1 t -118.17 130.46 56.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -39.98 -54.8 2.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.955 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -44.37 -59.29 2.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.528 ' HB3' ' HB3' ' A' ' 66' ' ' ALA . 6.2 mm-40 -57.86 -47.93 81.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.9 mmpt? -42.73 -65.63 0.45 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.66 HD11 ' HD2' ' A' ' 97' ' ' ARG . 15.2 mt -60.5 -44.88 95.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.944 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.5 t -40.45 -48.2 2.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 50.1 m-20 -63.81 -53.47 50.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.869 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.546 ' CZ2' HG21 ' A' ' 99' ' ' ILE . 60.9 m95 -46.46 -51.95 14.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.952 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -52.27 -39.79 51.73 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.48 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -70.73 -42.12 70.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.848 0.356 . . . . 0.0 110.892 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.8 tp -63.74 -22.98 67.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.639 ' HA ' HD12 ' A' ' 84' ' ' LEU . 37.0 t-20 -74.11 -30.71 62.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 81.2 mtt180 -105.87 3.42 28.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.913 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.9 mmmp? -118.07 -29.34 5.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.421 ' O ' ' C ' ' A' ' 84' ' ' LEU . 87.3 t -117.86 -74.68 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.141 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.639 HD12 ' HA ' ' A' ' 80' ' ' ASN . 83.2 mt -36.28 -60.73 0.55 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.963 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 84' ' ' LEU . 0.0 OUTLIER -35.88 -56.69 0.7 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.842 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 13.5 mmm180 -54.05 -40.29 67.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.897 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.462 ' N ' ' O ' ' A' ' 84' ' ' LEU . 16.1 mt -86.48 29.58 0.77 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.944 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 8.6 m120 40.18 37.52 0.42 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -111.86 142.08 44.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.848 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 89.7 p -142.02 148.11 37.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.826 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.676 HG13 ' HD2' ' A' ' 92' ' ' PRO . 93.0 t -151.37 138.82 12.31 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.618 0.723 . . . . 0.0 111.106 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.676 ' HD2' HG13 ' A' ' 91' ' ' VAL . 53.9 Cg_endo -69.8 166.03 29.03 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.697 2.265 . . . . 0.0 112.358 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.18 -48.69 67.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -43.03 -42.74 3.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.586 HG23 ' HG2' ' A' ' 92' ' ' PRO . 71.4 t -70.03 -40.62 78.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.162 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.533 ' HA ' HD12 ' A' ' 99' ' ' ILE . 5.5 mtm -60.95 -53.7 54.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.841 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.66 ' HD2' HD11 ' A' ' 73' ' ' LEU . 22.7 mmm-85 -42.96 -52.35 5.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.84 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 34.0 mttm -54.47 -45.46 73.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.546 HG21 ' CZ2' ' A' ' 76' ' ' TRP . 87.8 mt -54.29 -55.6 13.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -61.47 -14.44 28.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.105 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 22.5 mm-40 -95.73 11.28 34.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.936 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 51.3 m 57.32 54.2 6.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.515 ' CB ' HG21 ' A' ' 106' ' ' VAL . . . -90.2 125.21 60.99 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.59 0.71 . . . . 0.0 111.115 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 132.8 24.02 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.716 2.277 . . . . 0.0 112.359 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 82.81 -13.52 42.48 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.497 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.515 HG21 ' CB ' ' A' ' 103' ' ' ALA . 89.0 t -79.58 -72.63 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.901 0.382 . . . . 0.0 111.131 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 3.5 p -49.55 -38.07 12.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.114 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.417 ' HG2' ' CD2' ' A' ' 20' ' ' LEU . 41.4 mt-10 -56.57 -45.51 81.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.459 HD12 ' HA ' ' A' ' 106' ' ' VAL . 12.1 mt -48.67 -24.41 1.36 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.933 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 11.3 t -96.8 -23.58 4.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.144 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.456 ' HB3' HD11 ' A' ' 20' ' ' LEU . 93.2 mt -78.72 -42.79 27.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.523 ' N ' ' HD2' ' A' ' 113' ' ' PRO . 2.9 mt -42.92 -58.36 4.02 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.597 0.713 . . . . 0.0 111.12 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.523 ' HD2' ' N ' ' A' ' 112' ' ' ILE . 53.6 Cg_endo -69.75 -35.93 11.75 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.644 2.229 . . . . 0.0 112.358 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 6.2 tp -41.38 -63.63 0.67 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.416 ' C ' ' HD3' ' A' ' 115' ' ' ARG . 0.0 OUTLIER -53.64 -45.35 70.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 179.926 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -55.01 -35.42 64.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 11.7 mmp_? -75.31 -52.07 11.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.884 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.58 HD13 ' CD1' ' A' ' 53' ' ' TYR . 60.8 mt -49.79 -36.86 27.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.952 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -56.53 -52.68 63.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -60.89 -46.11 91.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.439 ' HG3' ' CD2' ' A' ' 87' ' ' LEU . 10.8 mmm180 -52.69 -39.97 62.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.915 -179.941 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 47.3 mm-40 . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.801 0.334 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.1 tp -69.68 -39.43 76.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.924 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -65.77 -51.16 61.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.935 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.2 mt -53.98 -51.95 62.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.876 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.571 ' CZ2' ' HB3' ' A' ' 115' ' ' ARG . 4.3 t90 -40.17 -45.26 1.99 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.519 HG23 ' CE3' ' A' ' 23' ' ' TRP . 58.1 t -79.45 -50.13 18.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.103 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 52.2 m-20 -41.95 -42.05 2.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -61.9 -48.27 81.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 90.5 mt . . . . . 0 C--N 1.329 -0.283 0 CA-C-O 121.646 0.736 . . . . 0.0 111.111 179.932 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 37.5 t0 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.888 0.375 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -85.77 -33.59 21.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.862 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.7 t -41.48 -33.7 0.46 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.866 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -83.84 123.09 29.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.893 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.83 -21.64 75.19 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.505 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.519 HG21 ' HA ' ' A' ' 65' ' ' PRO . 24.5 t -54.32 -18.19 2.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.841 0.353 . . . . 0.0 111.14 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 22.7 tp -99.65 -48.26 4.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.936 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 78.3 t -45.41 -37.85 2.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.161 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.62 -44.65 95.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.097 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -51.54 -50.23 60.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 90.0 t -45.4 -45.79 3.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.13 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 56.5 mt -60.92 -35.64 66.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.141 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 7.7 tptm -45.81 -55.87 6.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.94 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -45.43 -47.13 13.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -74.88 -67.29 0.66 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.94 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -124.62 105.68 30.1 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.65 0.738 . . . . 0.0 110.894 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -47.83 0.84 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.697 2.265 . . . . 0.0 112.325 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 42.4 mtpt -55.64 -44.51 77.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 64.5 mmm -55.92 -38.18 69.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.909 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 56.0 t -72.45 124.8 29.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.13 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -130.79 48.41 2.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.406 ' O ' ' N ' ' A' ' 62' ' ' ASN . 17.0 mtp -55.61 -19.19 9.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -43.25 -23.94 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.406 ' N ' ' O ' ' A' ' 60' ' ' MET . 67.3 m-20 -98.27 -40.42 8.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.863 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -72.41 141.92 48.68 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.933 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.637 HG13 ' HD2' ' A' ' 65' ' ' PRO . 98.0 t -140.99 138.37 17.94 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.643 0.735 . . . . 0.0 111.152 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.637 ' HD2' HG13 ' A' ' 64' ' ' VAL . 53.8 Cg_endo -69.73 110.57 2.58 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.645 2.23 . . . . 0.0 112.374 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -118.79 124.86 48.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.085 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -55.03 -32.22 61.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 50.7 m -63.1 139.97 58.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.53 ' O ' HD13 ' A' ' 69' ' ' LEU . 1.0 OUTLIER -69.55 -57.64 4.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.93 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.441 ' C ' ' O ' ' A' ' 69' ' ' LEU . 78.2 mt-30 -34.58 -45.26 0.23 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 22.0 tp60 -57.98 -54.11 50.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.957 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.4 mmpt? -41.67 -60.36 1.37 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.894 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.56 HD21 ' HA ' ' A' ' 97' ' ' ARG . 14.6 mt -52.62 -48.66 66.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.896 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 4.2 t -53.45 -41.38 66.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.845 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -66.66 -56.31 11.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.526 ' CZ2' HG21 ' A' ' 99' ' ' ILE . 40.0 m95 -45.0 -51.27 10.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.914 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -49.56 -39.69 30.64 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.47 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 40.2 m170 -69.77 -44.59 69.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.821 0.343 . . . . 0.0 110.824 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.7 tp -59.66 -16.53 27.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.789 ' HA ' HD12 ' A' ' 84' ' ' LEU . 54.0 t-20 -79.61 -37.88 35.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 30.9 mtm180 -102.84 4.76 38.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 30.0 mmtt -116.65 -34.62 4.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 96.4 t -112.06 -74.73 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.789 HD12 ' HA ' ' A' ' 80' ' ' ASN . 24.3 mt -43.03 -42.75 3.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 6.3 tmtm? -44.43 -46.9 9.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.929 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 -74.71 -20.19 59.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.422 ' N ' ' O ' ' A' ' 84' ' ' LEU . 65.2 mt -96.27 20.32 10.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 44.25 31.28 0.54 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -111.75 131.25 55.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.838 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 82.8 p -121.07 150.71 40.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 13.4 t -152.15 130.24 6.1 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.594 0.711 . . . . 0.0 111.157 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 176.47 6.72 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.722 2.281 . . . . 0.0 112.335 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -79.57 -41.43 27.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.854 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 9.3 p30 -50.0 -34.82 22.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 54.8 t -79.09 -36.44 18.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.157 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.582 ' HA ' HD12 ' A' ' 99' ' ' ILE . 5.5 mtm -67.44 -51.13 55.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.56 ' HA ' HD21 ' A' ' 73' ' ' LEU . 33.7 mtp180 -43.64 -46.44 7.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.56 ' HB2' HG11 ' A' ' 106' ' ' VAL . 68.7 mttt -63.2 -44.76 94.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.582 HD12 ' HA ' ' A' ' 96' ' ' MET . 91.4 mt -52.35 -52.42 25.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.161 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.2 -23.61 64.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.058 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 -81.25 12.46 3.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.949 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 64.0 m 54.0 46.91 24.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -98.32 121.36 57.16 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.561 0.696 . . . . 0.0 111.143 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 151.7 69.24 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.676 2.251 . . . . 0.0 112.343 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 76.21 15.18 81.62 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.506 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.56 HG11 ' HB2' ' A' ' 98' ' ' LYS . 51.0 t -118.87 -65.61 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.883 0.373 . . . . 0.0 111.116 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 1.6 p -56.52 -35.22 43.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.137 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -59.74 -40.31 87.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 79.5 mt -52.64 -20.88 3.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.94 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 85.3 t -100.57 -23.69 4.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.154 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 86.4 mt -72.69 -40.75 65.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.531 ' N ' ' HD2' ' A' ' 113' ' ' PRO . 3.8 mt -53.24 -57.86 14.96 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.614 0.721 . . . . 0.0 111.138 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.531 ' HD2' ' N ' ' A' ' 112' ' ' ILE . 53.4 Cg_endo -69.84 -35.86 11.63 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.65 2.233 . . . . 0.0 112.32 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 5.9 tp -48.07 -61.55 1.92 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.914 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.571 ' HB3' ' CZ2' ' A' ' 23' ' ' TRP . 51.1 ptt85 -55.37 -43.62 75.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' GLN . . . . . 0.408 ' N ' ' HG3' ' A' ' 115' ' ' ARG . 39.2 mm-40 -53.13 -42.24 65.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.954 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 43.8 mmt-85 -68.1 -55.28 13.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 10.2 mt -50.2 -40.84 48.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -55.18 -52.23 63.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.86 -49.63 74.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -57.04 -36.77 70.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.854 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.949 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.47 ' HA ' HD12 ' A' ' 22' ' ' LEU . 46.4 mm-40 . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.838 0.351 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.696 HD22 ' OE2' ' A' ' 108' ' ' GLU . 7.2 tp -73.72 -35.72 65.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -72.59 -22.67 60.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.47 HD12 ' HA ' ' A' ' 19' ' ' GLN . 10.2 mt -85.75 -41.76 14.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.904 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 4.4 t90 -53.82 -39.63 65.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.898 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.441 ' O ' ' C ' ' A' ' 25' ' ' ASP . 92.8 t -69.62 -52.49 31.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.121 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.441 ' C ' ' O ' ' A' ' 24' ' ' VAL . 2.4 t70 -35.01 -52.3 0.55 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 35.9 t30 -38.32 -53.43 1.49 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.534 ' CD1' HG13 ' A' ' 49' ' ' VAL . 25.8 mt . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 121.609 0.718 . . . . 0.0 111.156 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.43 ' O ' ' C ' ' A' ' 40' ' ' PHE . 8.9 t0 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.815 0.34 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.45 ' N ' HD23 ' A' ' 45' ' ' LEU . 10.0 m-85 -35.46 -54.68 0.67 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.849 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 40' ' ' PHE . 42.6 t -37.09 -45.23 0.59 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 -179.791 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.546 ' CG ' ' N ' ' A' ' 43' ' ' GLY . 0.3 OUTLIER -43.73 -55.44 4.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 179.927 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.546 ' N ' ' CG ' ' A' ' 42' ' ' ASP . . . 117.59 -39.12 2.72 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.479 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.416 ' N ' ' OD2' ' A' ' 42' ' ' ASP . 22.0 t -62.34 -40.98 89.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.843 0.354 . . . . 0.0 111.13 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.476 HD12 ' O ' ' A' ' 45' ' ' LEU . 4.9 tp -63.91 -43.22 96.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.909 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 95.9 t -50.16 -47.88 24.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.137 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.409 ' O ' HG21 ' A' ' 58' ' ' VAL . . . -50.44 -54.04 25.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.083 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -45.73 -48.52 15.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.861 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.534 HG13 ' CD1' ' A' ' 27' ' ' ILE . 89.9 t -50.2 -54.66 7.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.156 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 92.9 mt -50.37 -44.17 23.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.168 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.468 ' CD ' ' HA ' ' A' ' 55' ' ' PRO . 4.0 tppp? -38.61 -58.42 1.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.411 ' C ' ' O ' ' A' ' 51' ' ' LYS . 27.7 t80 -37.62 -52.62 1.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 58.0 m-85 -73.13 -54.64 7.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.954 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.406 ' HA ' ' HD2' ' A' ' 55' ' ' PRO . 31.7 m-85 -129.96 97.52 23.38 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.635 0.731 . . . . 0.0 110.9 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.468 ' HA ' ' CD ' ' A' ' 51' ' ' LYS . 53.4 Cg_endo -69.7 -22.04 32.92 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.731 2.287 . . . . 0.0 112.344 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.406 ' HG3' ' N ' ' A' ' 57' ' ' MET . 16.0 pttp -78.87 -31.41 45.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.406 ' N ' ' HG3' ' A' ' 56' ' ' LYS . 21.2 mmm -64.28 -49.54 71.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.409 HG21 ' O ' ' A' ' 47' ' ' ALA . 93.2 t -76.33 139.09 19.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.115 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -115.61 -49.21 2.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 15.7 mmt 61.45 43.94 9.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -122.01 -34.18 3.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.886 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -95.82 -37.1 10.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 52.3 m-85 -70.91 136.32 48.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.602 HG13 ' HD2' ' A' ' 65' ' ' PRO . 89.6 t -138.15 136.78 19.83 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.631 0.729 . . . . 0.0 111.141 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.602 ' HD2' HG13 ' A' ' 64' ' ' VAL . 54.6 Cg_endo -69.71 97.42 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.726 2.284 . . . . 0.0 112.378 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -116.81 166.95 11.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.103 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -101.78 -40.09 7.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 16.2 m -46.06 140.83 3.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 32.9 tp -62.35 -47.72 82.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.914 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -51.57 -47.57 63.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -56.37 -52.04 66.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.438 ' NZ ' ' HA ' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -45.13 -67.74 0.26 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.474 ' HG ' ' CB ' ' A' ' 100' ' ' ALA . 13.6 mt -52.78 -50.33 63.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.553 ' O ' ' CE1' ' A' ' 78' ' ' HIS . 2.5 t -46.39 -36.2 6.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.871 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 -76.82 -47.6 20.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.418 ' CZ2' HG21 ' A' ' 99' ' ' ILE . 37.3 m95 -56.65 -54.6 44.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.896 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -43.33 -41.03 4.92 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.475 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.553 ' CE1' ' O ' ' A' ' 74' ' ' SER . 0.3 OUTLIER -67.86 -49.81 59.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.86 0.362 . . . . 0.0 110.825 -179.929 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.9 tp -56.28 -13.16 1.95 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.629 ' HA ' HD12 ' A' ' 84' ' ' LEU . 0.1 OUTLIER -82.48 -23.66 34.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 179.909 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 41.4 mtp180 -111.79 -19.57 12.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -92.49 -33.35 14.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.461 ' O ' ' C ' ' A' ' 84' ' ' LEU . 72.7 t -112.67 -76.5 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.121 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.629 HD12 ' HA ' ' A' ' 80' ' ' ASN . 73.7 mt -33.53 -53.07 0.41 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.933 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 12.1 tptp -43.15 -51.37 5.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 14.9 mmt85 -59.74 -31.08 69.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.463 HD22 ' HB3' ' A' ' 117' ' ' ARG . 9.6 mt -91.75 27.13 2.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.94 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 1.6 t30 41.38 34.88 0.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -108.54 161.36 15.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 22.8 p -154.81 131.65 10.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.653 HG13 ' HD2' ' A' ' 92' ' ' PRO . 84.3 t -127.58 138.63 33.25 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.608 0.718 . . . . 0.0 111.142 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.653 ' HD2' HG13 ' A' ' 91' ' ' VAL . 54.2 Cg_endo -69.72 159.19 54.38 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.685 2.257 . . . . 0.0 112.345 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -68.5 -15.96 63.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -75.64 -44.03 44.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.869 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.408 HG23 ' HG2' ' A' ' 92' ' ' PRO . 18.4 t -64.17 -28.95 46.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.101 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 6.7 mtm -67.55 -48.7 66.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 65.7 mmt-85 -48.54 -38.43 20.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.499 ' HB2' HG11 ' A' ' 106' ' ' VAL . 21.3 mttp -68.19 -59.82 2.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.909 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.418 HG21 ' CZ2' ' A' ' 76' ' ' TRP . 66.4 mt -46.18 -47.13 6.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.114 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.474 ' CB ' ' HG ' ' A' ' 73' ' ' LEU . . . -65.59 -27.88 68.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.09 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 51.7 mm-40 -80.38 6.52 11.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 32.8 m 60.45 53.59 4.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.933 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -96.09 123.75 54.13 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.562 0.696 . . . . 0.0 111.088 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 121.22 7.91 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.645 2.23 . . . . 0.0 112.348 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 112.92 -57.33 0.44 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.478 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.499 HG11 ' HB2' ' A' ' 98' ' ' LYS . 45.0 t -46.49 -52.74 3.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.91 0.386 . . . . 0.0 111.154 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.589 HG13 ' N ' ' A' ' 108' ' ' GLU . 10.7 p -63.47 -48.38 87.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.111 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.696 ' OE2' HD22 ' A' ' 20' ' ' LEU . 9.7 tm-20 -53.6 -41.93 67.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 69.7 mt -58.25 -23.93 57.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 106' ' ' VAL . 5.6 t -92.0 -26.9 4.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.104 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 77.2 mt -73.44 -36.8 65.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.918 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.534 ' N ' ' HD2' ' A' ' 113' ' ' PRO . 3.8 mt -56.11 -57.81 20.12 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.597 0.713 . . . . 0.0 111.142 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.534 ' HD2' ' N ' ' A' ' 112' ' ' ILE . 53.0 Cg_endo -69.82 -38.75 7.24 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.654 2.236 . . . . 0.0 112.314 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 9.3 tp -48.37 -46.9 37.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.919 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 30.3 ttt180 -63.53 -46.35 86.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.909 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -46.58 -38.81 10.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.463 ' HB3' HD22 ' A' ' 87' ' ' LEU . 22.6 mmm180 -72.92 -55.41 6.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.422 ' C ' ' O ' ' A' ' 117' ' ' ARG . 29.5 mt -36.2 -43.25 0.34 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -74.84 -44.43 49.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.903 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 117' ' ' ARG . 9.4 mt-10 -45.98 -23.13 0.26 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.868 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 43.1 mtt-85 -91.99 -43.74 9.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.956 -179.935 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 25.6 mm100 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.786 0.327 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.0 tp -68.34 -43.73 76.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -60.11 -45.01 94.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 21.4 mt -59.8 -38.73 82.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.909 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.466 ' CZ2' ' HB2' ' A' ' 115' ' ' ARG . 12.3 t90 -55.7 -34.23 64.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.428 ' O ' ' C ' ' A' ' 25' ' ' ASP . 83.3 t -84.09 -49.27 16.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.124 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 24' ' ' VAL . 6.3 t70 -35.3 -48.35 0.46 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -47.51 -49.77 25.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.457 HG23 ' CD2' ' A' ' 52' ' ' PHE . 22.6 mt . . . . . 0 C--N 1.329 -0.284 0 CA-C-O 121.626 0.727 . . . . 0.0 111.161 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.796 ' OD1' HD22 ' A' ' 45' ' ' LEU . 44.5 t0 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.846 0.355 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.492 ' O ' ' N ' ' A' ' 42' ' ' ASP . 6.0 m-85 -78.11 -40.35 38.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 40' ' ' PHE . 40.2 t -35.56 -31.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.882 -179.801 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.492 ' N ' ' O ' ' A' ' 40' ' ' PHE . 1.2 p30 -93.11 99.03 11.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.898 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 42' ' ' ASP . . . -34.77 -35.22 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.456 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.584 HG21 ' HA ' ' A' ' 65' ' ' PRO . 98.8 t -38.3 -56.2 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.816 0.341 . . . . 0.0 111.089 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.796 HD22 ' OD1' ' A' ' 39' ' ' ASP . 20.7 tp -58.84 -46.62 87.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 94.6 t -46.75 -55.42 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.157 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.509 ' HA ' HD12 ' A' ' 50' ' ' ILE . . . -46.91 -45.64 20.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.109 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 -47.14 -52.69 14.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.926 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 87.8 t -45.6 -58.28 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.099 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.509 HD12 ' HA ' ' A' ' 47' ' ' ALA . 38.2 mt -43.15 -42.65 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.098 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.447 ' O ' ' C ' ' A' ' 52' ' ' PHE . 0.2 OUTLIER -42.18 -61.58 1.13 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.847 179.897 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.457 ' CD2' HG23 ' A' ' 27' ' ' ILE . 5.9 t80 -34.66 -42.36 0.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -82.32 -56.83 3.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.403 ' CZ ' ' HB3' ' A' ' 121' ' ' ARG . 29.3 m-85 -134.18 114.51 12.68 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.682 0.753 . . . . 0.0 110.87 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -31.77 20.07 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.696 2.264 . . . . 0.0 112.337 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 57' ' ' MET . 23.2 mtpp -70.68 -61.61 1.7 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.431 ' C ' ' O ' ' A' ' 56' ' ' LYS . 50.6 mtp -36.2 -39.25 0.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 85.7 t -68.57 119.28 14.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.115 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -117.34 42.77 2.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.417 ' O ' ' C ' ' A' ' 61' ' ' HIS . 11.8 tpp -55.66 -39.26 70.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.866 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.417 ' C ' ' O ' ' A' ' 60' ' ' MET . 4.5 t-160 -36.26 -34.38 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.851 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.414 ' N ' ' O ' ' A' ' 60' ' ' MET . 1.4 m-20 -87.93 -52.53 5.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 91.9 m-85 -57.02 161.2 3.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.922 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.684 HG13 ' HD2' ' A' ' 65' ' ' PRO . 98.5 t -152.82 138.86 11.99 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.603 0.716 . . . . 0.0 111.165 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.684 ' HD2' HG13 ' A' ' 64' ' ' VAL . 53.7 Cg_endo -69.75 103.27 1.13 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.69 2.26 . . . . 0.0 112.361 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -95.09 169.47 10.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.101 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 9.5 m-20 -111.79 -37.54 5.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.887 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 24.3 t -71.33 112.67 7.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 23.0 tp -38.07 -38.29 0.32 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 90.2 mm-40 -53.18 -56.89 12.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.434 ' O ' ' C ' ' A' ' 72' ' ' LYS . 36.4 tp60 -56.27 -48.11 77.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 71' ' ' GLN . 11.5 mmmm -35.78 -60.23 0.54 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.91 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 12.9 mt -49.28 -50.56 38.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 23.0 t -41.52 -46.05 3.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 27.8 m-20 -63.0 -59.88 4.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.904 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 38.1 m95 -43.95 -58.27 2.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.96 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -38.86 -57.49 1.98 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.466 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.446 ' O ' ' N ' ' A' ' 82' ' ' LYS . 33.3 m80 -53.64 -43.38 68.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.791 0.329 . . . . 0.0 110.845 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.4 tp -53.84 -25.43 19.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.686 ' HA ' HD12 ' A' ' 84' ' ' LEU . 59.1 t-20 -68.27 -37.15 80.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 23.6 mmm180 -110.45 1.31 18.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.834 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 78' ' ' HIS . 32.4 mmtt -104.66 -27.86 11.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.894 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.428 ' O ' ' C ' ' A' ' 84' ' ' LEU . 44.2 t -128.99 -69.29 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.132 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.686 HD12 ' HA ' ' A' ' 80' ' ' ASN . 78.3 mt -36.26 -55.22 0.81 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 34.7 tttm -40.15 -49.71 2.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.942 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.424 ' NH1' ' HB3' ' A' ' 86' ' ' ARG . 6.0 mmm180 -56.24 -39.99 73.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.41 ' O ' ' C ' ' A' ' 88' ' ' ASN . 10.5 mt -92.86 33.01 1.18 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.943 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 87' ' ' LEU . 4.2 m120 37.09 36.4 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -105.24 134.8 47.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 57.0 p -123.6 147.31 47.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 85.7 t -149.74 125.43 5.0 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.655 0.74 . . . . 0.0 111.095 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.494 ' HG2' HG23 ' A' ' 95' ' ' VAL . 53.7 Cg_endo -69.77 135.4 30.33 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.651 2.234 . . . . 0.0 112.302 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -42.56 -36.65 1.42 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -51.88 -54.7 26.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.494 HG23 ' HG2' ' A' ' 92' ' ' PRO . 42.5 t -57.64 -37.8 60.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.141 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 11.1 mtm -62.96 -47.77 81.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.87 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 11.5 mmm180 -45.5 -49.63 13.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.878 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.455 ' HB3' ' CB ' ' A' ' 103' ' ' ALA . 23.2 mttm -61.05 -60.98 2.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.855 HG23 ' HB ' ' A' ' 107' ' ' VAL . 85.4 mt -38.88 -67.63 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.122 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -49.71 -31.94 12.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.131 179.781 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' GLN . . . . . 0.432 ' O ' ' C ' ' A' ' 102' ' ' CYS . 12.1 mm-40 -86.78 33.53 0.65 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' CYS . . . . . 0.432 ' C ' ' O ' ' A' ' 101' ' ' GLN . 21.8 p 34.69 38.37 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.64 ' HB1' ' HD2' ' A' ' 104' ' ' PRO . . . -55.29 162.47 2.16 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.587 0.708 . . . . 0.0 111.09 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.64 ' HD2' ' HB1' ' A' ' 103' ' ' ALA . 53.4 Cg_endo -69.75 114.72 3.79 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.682 2.254 . . . . 0.0 112.323 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 104' ' ' PRO . . . 36.14 81.18 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.451 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.425 HG11 ' HB2' ' A' ' 98' ' ' LYS . 74.9 t -134.83 -54.5 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.87 0.367 . . . . 0.0 111.189 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.855 ' HB ' HG23 ' A' ' 99' ' ' ILE . 12.0 p -57.76 -28.34 32.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.14 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.4 ' HA ' HD12 ' A' ' 111' ' ' LEU . 39.5 mp0 -61.24 -45.01 96.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 20.9 mt -48.33 -22.48 0.7 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.929 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 40.8 t -100.29 -27.23 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.164 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.4 HD12 ' HA ' ' A' ' 108' ' ' GLU . 81.0 mt -71.65 -43.04 66.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.525 ' N ' ' HD2' ' A' ' 113' ' ' PRO . 3.7 mt -51.09 -57.92 12.2 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.599 0.714 . . . . 0.0 111.085 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.525 ' HD2' ' N ' ' A' ' 112' ' ' ILE . 54.1 Cg_endo -69.74 -21.23 33.88 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.685 2.257 . . . . 0.0 112.377 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 7.4 tp -52.86 -54.48 33.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.466 ' HB2' ' CZ2' ' A' ' 23' ' ' TRP . 26.7 ttt180 -57.92 -45.3 86.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 11.9 mm-40 -49.84 -55.1 15.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -58.33 -50.89 72.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.405 HD12 ' HA ' ' A' ' 115' ' ' ARG . 35.5 mt -51.02 -46.31 61.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -47.43 -50.15 23.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -56.31 -24.44 43.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.403 ' HB3' ' CZ ' ' A' ' 54' ' ' PHE . 6.8 mmt180 -88.94 -38.1 14.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 -179.995 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.545 ' HA ' HD12 ' A' ' 22' ' ' LEU . 28.5 mm100 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.812 0.339 . . . . 0.0 110.855 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.709 HD22 HG13 ' A' ' 112' ' ' ILE . 20.7 tp -68.95 -37.19 78.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.546 ' CE1' ' OE1' ' A' ' 108' ' ' GLU . 10.6 m-85 -63.06 -41.33 99.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.943 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.545 HD12 ' HA ' ' A' ' 19' ' ' GLN . 14.0 mt -60.31 -52.75 63.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.892 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.577 ' CH2' HG11 ' A' ' 49' ' ' VAL . 20.0 t90 -39.32 -41.5 0.92 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.921 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.456 ' HA ' HD12 ' A' ' 27' ' ' ILE . 79.4 t -68.9 -38.48 78.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.155 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 22' ' ' LEU . 52.1 m-20 -63.58 -43.97 95.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.425 ' ND2' ' HA ' ' A' ' 23' ' ' TRP . 3.4 m-20 -53.43 -50.85 64.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.803 HD13 HG13 ' A' ' 49' ' ' VAL . 19.6 mt . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 121.645 0.736 . . . . 0.0 111.088 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.806 0.336 . . . . 0.0 110.854 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -43.72 -36.09 2.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 40.9 t -47.96 -40.34 22.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.868 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.432 ' HA ' ' CD ' ' A' ' 72' ' ' LYS . 1.1 m-20 -57.27 -43.26 82.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.846 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 112.44 -38.82 3.09 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.499 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 55.4 t -45.34 -51.93 2.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.853 0.359 . . . . 0.0 111.109 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -50.31 -57.46 7.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 93.5 t -43.03 -37.18 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.132 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.89 -53.2 34.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.075 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -49.81 -44.83 49.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.844 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.803 HG13 HD13 ' A' ' 27' ' ' ILE . 79.5 t -49.29 -51.53 13.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.12 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 38.1 mt -53.94 -41.37 49.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.16 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.2 tmtp? -37.08 -55.99 0.92 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -43.19 -45.05 5.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.864 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -75.66 -46.51 30.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.945 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.486 ' CZ ' ' HB3' ' A' ' 121' ' ' ARG . 55.2 m-85 -147.47 120.48 4.8 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.645 0.736 . . . . 0.0 110.835 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -38.49 7.7 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.649 2.232 . . . . 0.0 112.333 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 57' ' ' MET . 19.0 ptmt -65.38 -55.27 19.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.44 ' SD ' ' CD2' ' A' ' 54' ' ' PHE . 75.0 mtp -37.11 -55.1 0.97 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 72.5 t -65.2 114.57 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.127 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -118.38 99.67 6.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.87 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 90.0 mmm -89.88 53.52 2.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 61.7 t60 -112.47 -39.12 4.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.91 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.582 ' ND2' ' CE1' ' A' ' 63' ' ' TYR . 2.9 p-10 -100.23 -26.89 13.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.582 ' CE1' ' ND2' ' A' ' 62' ' ' ASN . 21.9 m-85 -78.97 146.81 33.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.656 HG13 ' HD2' ' A' ' 65' ' ' PRO . 93.6 t -156.84 138.54 9.93 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.659 0.742 . . . . 0.0 111.146 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.656 ' HD2' HG13 ' A' ' 64' ' ' VAL . 53.9 Cg_endo -69.77 117.61 5.18 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.714 2.276 . . . . 0.0 112.34 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -129.18 -179.31 5.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 -118.79 -44.35 2.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 9.0 t -56.5 128.76 37.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.853 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 12.9 tp -52.78 -44.94 66.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.895 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 11.1 tp-100 -39.79 -50.14 2.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 72' ' ' LYS . 60.2 tp60 -62.59 -47.32 84.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.432 ' CD ' ' HA ' ' A' ' 42' ' ' ASP . 25.7 mmtm -37.07 -62.76 0.47 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.928 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 14.6 mt -54.84 -46.77 74.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 37.0 t -49.92 -59.91 3.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -48.83 -66.32 0.42 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.841 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.48 ' CZ2' HG21 ' A' ' 99' ' ' ILE . 40.5 m95 -39.82 -54.93 2.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -38.8 -60.6 1.47 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.541 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 12.4 m-70 -54.28 -36.77 63.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.845 0.355 . . . . 0.0 110.886 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.3 tp -61.79 -20.78 63.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.401 ' HA ' HD12 ' A' ' 84' ' ' LEU . 64.5 t-20 -79.84 -28.71 40.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.851 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 9.8 mtt85 -110.21 1.87 18.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.49 -35.94 5.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.441 ' O ' ' C ' ' A' ' 84' ' ' LEU . 92.7 t -112.3 -71.9 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.146 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.441 ' C ' ' O ' ' A' ' 83' ' ' VAL . 41.2 mt -35.0 -57.99 0.54 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 84' ' ' LEU . 9.7 tppt? -35.84 -57.53 0.67 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 19.7 mmt180 -52.54 -44.68 65.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.426 ' O ' ' C ' ' A' ' 88' ' ' ASN . 10.8 mt -86.43 31.77 0.65 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.426 ' C ' ' O ' ' A' ' 87' ' ' LEU . 16.0 m120 36.22 38.6 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -108.91 147.37 32.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 87.5 p -137.89 147.02 44.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.836 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 12.2 t -149.08 130.77 7.42 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.64 0.733 . . . . 0.0 111.126 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.598 ' HG2' HG23 ' A' ' 95' ' ' VAL . 53.2 Cg_endo -69.79 176.0 7.38 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.672 2.248 . . . . 0.0 112.34 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -75.14 -46.75 32.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.843 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -44.68 -51.01 9.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.598 HG23 ' HG2' ' A' ' 92' ' ' PRO . 97.0 t -59.97 -43.05 91.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.155 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.512 ' HA ' HD12 ' A' ' 99' ' ' ILE . 6.1 mtm -61.51 -45.51 93.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -49.3 -48.53 46.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.541 ' HB2' HG11 ' A' ' 106' ' ' VAL . 31.4 mtpt -57.21 -56.17 25.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.512 HD12 ' HA ' ' A' ' 96' ' ' MET . 30.9 mt -47.44 -55.7 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.13 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -59.08 -22.82 61.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -84.91 14.16 5.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.954 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 38.9 t 58.77 40.17 23.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.883 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -77.74 118.34 71.46 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.587 0.708 . . . . 0.0 111.092 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.83 119.37 6.33 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.658 2.238 . . . . 0.0 112.333 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 105.83 -52.74 0.68 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.453 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.541 HG11 ' HB2' ' A' ' 98' ' ' LYS . 60.4 t -43.79 -62.52 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.895 0.378 . . . . 0.0 111.142 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 8.3 p -45.65 -38.68 2.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.101 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.546 ' OE1' ' CE1' ' A' ' 21' ' ' TYR . 4.9 mm-40 -64.3 -35.83 82.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 87.2 mt -53.68 -19.76 4.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 72.4 t -105.97 -25.23 3.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.162 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.421 HD12 ' OE2' ' A' ' 108' ' ' GLU . 75.8 mt -72.3 -39.44 68.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.945 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.709 HG13 HD22 ' A' ' 20' ' ' LEU . 3.7 mt -55.28 -57.88 17.98 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.605 0.716 . . . . 0.0 111.14 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.536 ' HD2' ' N ' ' A' ' 112' ' ' ILE . 53.6 Cg_endo -69.76 -35.97 11.66 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.675 2.25 . . . . 0.0 112.347 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 7.3 tt -58.09 -56.42 22.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.95 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.488 ' HA ' HD12 ' A' ' 118' ' ' LEU . 20.2 ttt180 -53.48 -40.41 65.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 7.3 mm100 -53.02 -56.02 19.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.935 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.431 ' O ' ' N ' ' A' ' 120' ' ' GLU . 9.4 mpt_? -52.46 -53.41 45.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.488 HD12 ' HA ' ' A' ' 115' ' ' ARG . 26.2 mt -36.77 -56.98 0.82 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -45.39 -40.96 8.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.848 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 117' ' ' ARG . 8.3 tm-20 -55.66 -49.84 71.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.486 ' HB3' ' CZ ' ' A' ' 54' ' ' PHE . 69.5 mtt-85 -68.19 -37.18 80.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.942 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 22.5 mm100 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.863 0.363 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.441 ' CD2' ' HG2' ' A' ' 108' ' ' GLU . 6.6 tp -64.35 -35.46 80.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -63.88 -13.79 48.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 38.8 mt -91.19 -47.68 7.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.867 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 26.2 t90 -46.58 -48.42 19.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.899 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.409 ' O ' ' C ' ' A' ' 25' ' ' ASP . 85.4 t -62.09 -45.93 97.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.098 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 24' ' ' VAL . 42.3 t0 -37.0 -55.51 0.92 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -41.69 -53.31 3.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 49.2 mt . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 121.64 0.733 . . . . 0.0 111.15 179.91 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.804 0.335 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -76.97 -40.21 47.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.3 t -44.15 -30.02 0.71 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.828 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.483 ' OD1' HG23 ' A' ' 44' ' ' VAL . 45.4 t0 -90.56 136.9 32.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.836 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -80.28 44.11 2.81 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.464 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.483 HG23 ' OD1' ' A' ' 42' ' ' ASP . 91.2 t -115.21 -39.96 2.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.84 0.352 . . . . 0.0 111.096 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.2 tp -77.77 -43.87 29.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.932 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 97.1 t -40.97 -38.57 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.122 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.538 ' HA ' HD12 ' A' ' 50' ' ' ILE . . . -61.88 -43.38 98.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.08 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -51.87 -45.88 64.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 98.4 t -53.9 -30.87 19.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.121 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.538 HD12 ' HA ' ' A' ' 47' ' ' ALA . 38.1 mt -72.05 -40.98 67.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.102 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.4 tppt? -41.55 -50.69 4.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 45.3 t80 -46.67 -43.09 17.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.836 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.611 ' CD2' HD13 ' A' ' 118' ' ' LEU . 81.9 m-85 -85.24 -65.96 0.95 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.957 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -124.9 120.9 25.52 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.629 0.728 . . . . 0.0 110.869 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -50.7 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.693 2.262 . . . . 0.0 112.346 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.437 ' HD3' ' N ' ' A' ' 56' ' ' LYS . 0.1 OUTLIER -54.32 -59.17 5.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.407 ' C ' ' O ' ' A' ' 56' ' ' LYS . 15.0 mtp -35.88 -40.95 0.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.408 ' CG1' ' HG3' ' A' ' 60' ' ' MET . 40.1 t -53.98 -71.85 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.139 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 49.78 50.51 18.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.855 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.416 ' HE3' HG13 ' A' ' 44' ' ' VAL . 11.2 mtp -78.89 48.82 0.86 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 65.7 t60 -106.34 -0.73 24.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.841 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -117.49 -26.02 6.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 74.2 m-85 -81.66 157.72 24.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.62 HG13 ' HD2' ' A' ' 65' ' ' PRO . 84.2 t -155.34 137.6 10.01 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.624 0.726 . . . . 0.0 111.106 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.62 ' HD2' HG13 ' A' ' 64' ' ' VAL . 53.5 Cg_endo -69.8 96.09 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.693 2.262 . . . . 0.0 112.32 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -101.51 154.09 19.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.086 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 18.8 t30 -88.25 -34.26 17.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.877 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 20.7 m -63.37 -178.83 0.28 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.406 ' C ' HD23 ' A' ' 69' ' ' LEU . 9.6 tt -101.3 -44.8 5.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.917 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 9.7 mm-40 -43.46 -42.71 4.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -68.24 -43.82 77.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 58.6 mmtt -43.31 -64.07 0.71 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.445 HD21 ' HA ' ' A' ' 97' ' ' ARG . 29.0 mt -59.3 -45.76 90.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 47.9 t -41.95 -50.73 4.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.876 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.414 ' O ' ' N ' ' A' ' 78' ' ' HIS . 93.0 m-20 -63.4 -61.93 2.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.889 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.405 ' C ' ' O ' ' A' ' 75' ' ' ASN . 43.1 m95 -37.73 -54.26 1.22 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.875 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -49.6 -39.0 29.69 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.531 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.414 ' N ' ' O ' ' A' ' 75' ' ' ASN . 3.2 t-160 -73.79 -33.3 64.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.86 0.362 . . . . 0.0 110.849 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 8.2 tp -72.87 -12.39 60.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.936 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.424 ' HA ' HD12 ' A' ' 84' ' ' LEU . 64.1 t-20 -73.44 -37.74 65.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 27.2 mtt85 -103.39 3.94 35.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 6.8 mmtp -110.95 -22.82 11.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 54.8 t -127.16 -72.83 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.138 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.424 HD12 ' HA ' ' A' ' 80' ' ' ASN . 40.9 mt -41.11 -65.9 0.38 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.935 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 14.1 tmtt? -42.65 -52.26 4.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 21.7 mmt180 -58.38 -34.47 70.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.425 HD23 ' HD2' ' A' ' 121' ' ' ARG . 17.0 mt -92.31 27.1 2.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 50.64 27.58 3.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -106.4 167.8 9.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.856 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 68.2 p -155.16 148.47 24.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.84 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 10.4 t -143.98 131.78 10.77 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.6 0.714 . . . . 0.0 111.14 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.488 ' HG2' HG23 ' A' ' 95' ' ' VAL . 53.5 Cg_endo -69.78 158.75 55.86 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.72 2.28 . . . . 0.0 112.332 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -72.91 -12.93 61.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.864 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -82.71 -31.5 28.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.488 HG23 ' HG2' ' A' ' 92' ' ' PRO . 21.2 t -78.11 -25.09 14.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.1 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 9.0 mtt -75.87 -49.93 16.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.445 ' HA ' HD21 ' A' ' 73' ' ' LEU . 36.0 mtm180 -51.51 -28.28 13.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 33.0 mttp -78.71 -57.14 3.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.85 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.454 HG23 ' HB ' ' A' ' 107' ' ' VAL . 84.6 mt -45.76 -56.82 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.139 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -60.77 -17.74 50.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.095 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 19.3 mm-40 -99.05 36.2 1.75 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 22.2 m 40.6 45.04 1.91 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.87 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.91 152.64 96.23 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.601 0.715 . . . . 0.0 111.082 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.445 ' O ' ' C ' ' A' ' 105' ' ' GLY . 53.5 Cg_endo -69.84 118.25 5.57 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.696 2.264 . . . . 0.0 112.335 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 104' ' ' PRO . . . 34.38 81.46 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.463 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 24.6 t -129.81 -48.44 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.859 0.361 . . . . 0.0 111.114 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.454 ' HB ' HG23 ' A' ' 99' ' ' ILE . 14.1 p -72.61 -21.67 19.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.131 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.441 ' HG2' ' CD2' ' A' ' 20' ' ' LEU . 0.6 OUTLIER -63.64 -44.63 93.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 63.2 mt -57.19 -21.62 34.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 19.7 t -92.04 -20.72 6.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.093 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 89.0 mt -75.03 -46.82 32.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.528 ' N ' ' HD2' ' A' ' 113' ' ' PRO . 2.7 mt -44.61 -58.01 5.88 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.558 0.694 . . . . 0.0 111.129 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.528 ' HD2' ' N ' ' A' ' 112' ' ' ILE . 53.8 Cg_endo -69.76 -27.57 26.31 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.69 2.26 . . . . 0.0 112.388 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 6.8 tp -53.03 -48.43 67.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 21.6 ptt180 -66.58 -40.93 89.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.826 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 -51.77 -33.37 34.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.933 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 120' ' ' GLU . 23.6 mmm180 -82.91 -56.86 3.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.611 HD13 ' CD2' ' A' ' 53' ' ' TYR . 41.2 mt -41.77 -39.51 1.76 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.935 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -77.45 -32.7 54.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 117' ' ' ARG . 1.5 tp10 -62.92 -24.42 67.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.855 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.425 ' HD2' HD23 ' A' ' 87' ' ' LEU . 37.5 mtt-85 -103.5 -27.07 12.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.927 -179.913 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 40.9 mm-40 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.868 0.366 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.403 HD23 ' OE1' ' A' ' 108' ' ' GLU . 25.6 tp -67.49 -36.08 80.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.847 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -63.52 -56.51 15.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.935 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 49.0 mt -43.87 -54.52 5.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.935 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.538 ' CE2' ' HD2' ' A' ' 115' ' ' ARG . 6.2 t90 -39.98 -37.24 0.56 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.946 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 73.3 t -75.53 -42.71 42.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.424 ' OD1' ' C ' ' A' ' 25' ' ' ASP . 0.2 OUTLIER -52.58 -29.39 25.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.855 179.925 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -76.69 -46.23 26.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.431 HD11 ' NE1' ' A' ' 23' ' ' TRP . 93.1 mt . . . . . 0 C--N 1.329 -0.298 0 CA-C-O 121.59 0.71 . . . . 0.0 111.151 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.847 0.356 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.44 ' O ' ' C ' ' A' ' 41' ' ' SER . 3.8 m-85 -41.76 -43.37 2.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 40' ' ' PHE . 60.4 p -34.74 -41.96 0.14 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.857 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.445 ' O ' ' C ' ' A' ' 43' ' ' GLY . 30.1 t0 -75.71 108.41 8.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.858 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 42' ' ' ASP . . . -34.34 -49.65 0.67 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.451 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 92.5 t -43.02 -53.83 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.904 0.383 . . . . 0.0 111.141 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -48.41 -57.07 6.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.912 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 61.6 t -48.43 -45.88 14.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.097 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -53.73 -38.1 63.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.11 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -60.78 -40.45 92.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 71.3 t -54.97 -25.0 15.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.125 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.403 ' HB ' HG22 ' A' ' 58' ' ' VAL . 24.3 mt -81.42 -40.09 17.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.116 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 15.0 tptm -42.3 -52.3 4.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -44.15 -52.75 7.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.613 ' CD2' HD13 ' A' ' 118' ' ' LEU . 58.1 m-85 -73.27 -63.88 1.09 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 -179.837 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -126.91 122.8 23.43 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.686 0.755 . . . . 0.0 110.863 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -49.53 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.687 2.258 . . . . 0.0 112.351 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.485 ' O ' ' N ' ' A' ' 58' ' ' VAL . 25.1 mmmt -56.04 -54.68 41.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 58.9 mmm -38.37 -26.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.485 ' N ' ' O ' ' A' ' 56' ' ' LYS . 59.6 t -92.25 136.84 23.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.141 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 17.4 mp0 -132.96 94.11 3.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 2.9 mmt -89.93 31.31 0.98 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -104.27 -42.73 5.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.588 ' OD1' ' CD1' ' A' ' 63' ' ' TYR . 11.2 p30 -89.71 -39.33 13.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.588 ' CD1' ' OD1' ' A' ' 62' ' ' ASN . 20.8 m-85 -67.43 148.77 51.13 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 10.9 t -147.2 131.94 8.84 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.628 0.727 . . . . 0.0 111.117 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 126.78 13.68 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.689 2.26 . . . . 0.0 112.351 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.435 ' CB ' ' HG2' ' A' ' 71' ' ' GLN . . . -143.42 174.8 10.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.061 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 46.1 p30 -126.61 20.14 7.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 11.8 m -118.05 139.54 51.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.814 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.433 ' O ' ' C ' ' A' ' 70' ' ' GLN . 4.0 mm? -48.09 -72.9 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.921 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' A' ' 69' ' ' LEU . 5.1 pt20 -34.45 -49.16 0.38 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.917 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.435 ' HG2' ' CB ' ' A' ' 66' ' ' ALA . 11.2 tp60 -59.06 -48.9 79.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 69' ' ' LEU . 17.6 mmtp -56.74 -58.56 7.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.625 HD21 ' HA ' ' A' ' 97' ' ' ARG . 43.4 mt -52.74 -42.13 64.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.89 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 6.4 t -53.36 -49.08 67.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -64.79 -58.23 6.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.94 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.429 ' CZ2' HG21 ' A' ' 99' ' ' ILE . 45.1 m95 -42.93 -51.72 5.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.948 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -44.17 -43.73 7.35 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.469 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 48.6 m170 -66.78 -45.8 77.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.835 0.35 . . . . 0.0 110.884 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.588 HD12 ' OH ' ' A' ' 63' ' ' TYR . 4.4 tp -58.77 -21.68 56.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.916 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.606 ' HA ' HD12 ' A' ' 84' ' ' LEU . 0.1 OUTLIER -75.0 -29.07 60.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 179.877 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 35.4 mtm180 -110.02 3.94 20.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.847 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 9.7 mmtp -115.05 -36.11 4.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.416 ' O ' ' C ' ' A' ' 84' ' ' LEU . 55.6 t -108.26 -74.38 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.148 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.606 HD12 ' HA ' ' A' ' 80' ' ' ASN . 61.9 mt -36.84 -58.23 0.77 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.927 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 84' ' ' LEU . 33.2 tptt -36.55 -56.38 0.81 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.812 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 15.4 mmp_? -58.7 -35.66 72.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.488 ' N ' ' O ' ' A' ' 84' ' ' LEU . 22.8 mt -86.71 27.84 0.94 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 38.88 34.75 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -107.4 167.73 9.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 44.0 p -156.18 141.32 17.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 13.1 t -142.4 131.54 12.0 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.647 0.737 . . . . 0.0 111.11 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.691 ' HG2' HG23 ' A' ' 95' ' ' VAL . 53.8 Cg_endo -69.79 159.91 51.66 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.684 2.256 . . . . 0.0 112.369 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -63.3 -36.36 83.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.863 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 -55.67 -57.18 13.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.691 HG23 ' HG2' ' A' ' 92' ' ' PRO . 71.9 t -57.03 -41.56 77.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.114 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.793 ' HA ' HD12 ' A' ' 99' ' ' ILE . 7.5 mtm -55.92 -47.38 77.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.625 ' HA ' HD21 ' A' ' 73' ' ' LEU . 13.1 mmt85 -47.26 -57.83 4.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 25.8 mttm -53.38 -46.55 69.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.917 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.793 HD12 ' HA ' ' A' ' 96' ' ' MET . 72.9 mt -49.77 -55.95 4.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.137 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -59.84 -19.16 49.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.063 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -90.61 26.93 1.86 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.959 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 19.7 p 39.01 49.16 1.55 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -85.5 125.09 70.5 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.599 0.714 . . . . 0.0 111.101 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 135.8 31.47 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.66 2.24 . . . . 0.0 112.39 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 86.96 -29.39 5.09 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.477 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 97.9 t -69.14 -74.27 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.876 0.37 . . . . 0.0 111.154 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 5.4 p -47.9 -23.92 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.096 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.704 ' HA ' HD12 ' A' ' 111' ' ' LEU . 30.2 mt-10 -66.06 -40.59 91.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.866 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 21.0 mt -56.02 -20.41 16.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.1 t -97.37 -28.07 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.153 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.704 HD12 ' HA ' ' A' ' 108' ' ' GLU . 23.9 mt -70.8 -49.76 43.01 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.531 HG22 ' N ' ' A' ' 113' ' ' PRO . 2.7 mt -44.86 -58.68 5.09 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.638 0.732 . . . . 0.0 111.124 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.531 ' N ' HG22 ' A' ' 112' ' ' ILE . 53.7 Cg_endo -69.74 -50.43 0.47 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.696 2.264 . . . . 0.0 112.327 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 8.0 tt -47.09 -51.48 17.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.885 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.538 ' HD2' ' CE2' ' A' ' 23' ' ' TRP . 35.5 ttp180 -59.4 -47.27 86.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -47.2 -33.44 5.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.466 ' HB3' HD22 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -74.79 -51.26 14.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.847 -179.879 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.613 HD13 ' CD2' ' A' ' 53' ' ' TYR . 59.3 mt -40.38 -47.34 2.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.932 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -60.8 -40.06 91.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 117' ' ' ARG . 20.7 tt0 -61.03 -44.32 97.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 7.5 mtt-85 -71.02 -37.2 72.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.941 -179.966 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.677 ' HA ' HD12 ' A' ' 22' ' ' LEU . 48.3 mm-40 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.837 0.351 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.9 tp -68.5 -38.22 80.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -61.43 -30.92 70.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.905 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.677 HD12 ' HA ' ' A' ' 19' ' ' GLN . 14.4 mt -68.41 -55.92 10.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.946 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.492 ' CZ2' ' CG1' ' A' ' 49' ' ' VAL . 5.1 t90 -41.15 -53.88 3.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.605 ' HA ' HD12 ' A' ' 27' ' ' ILE . 75.4 t -67.52 -55.41 17.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.144 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -38.72 -39.9 0.55 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -64.04 -44.67 91.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.605 HD12 ' HA ' ' A' ' 24' ' ' VAL . 25.3 mt . . . . . 0 C--N 1.329 -0.306 0 CA-C-O 121.61 0.719 . . . . 0.0 111.16 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.494 ' N ' ' OD1' ' A' ' 39' ' ' ASP . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.808 0.337 . . . . 0.0 110.853 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.438 ' O ' ' C ' ' A' ' 41' ' ' SER . 14.7 m-85 -37.6 -43.55 0.62 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 40' ' ' PHE . 60.0 p -35.54 -52.8 0.67 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.872 -179.802 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -72.35 125.59 27.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.911 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 44' ' ' VAL . . . -59.67 -44.67 96.69 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.508 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.418 ' C ' ' O ' ' A' ' 43' ' ' GLY . 78.9 t -35.79 -46.25 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.825 0.345 . . . . 0.0 111.1 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.479 HD22 ' HB3' ' A' ' 39' ' ' ASP . 59.5 tp -64.92 -50.19 67.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 96.2 t -47.27 -51.19 6.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.161 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.702 ' HA ' HD12 ' A' ' 50' ' ' ILE . . . -45.72 -48.79 15.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.095 179.823 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -46.0 -40.74 10.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.525 HG13 HD13 ' A' ' 27' ' ' ILE . 72.4 t -58.83 -36.76 62.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.152 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.702 HD12 ' HA ' ' A' ' 47' ' ' ALA . 9.8 mt -73.87 -39.26 51.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.151 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.599 ' HZ2' ' HB3' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -40.14 -54.34 2.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.853 179.859 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.424 ' HA ' ' HZ3' ' A' ' 51' ' ' LYS . 62.3 t80 -43.11 -37.86 2.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.924 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 55.5 m-85 -86.85 -39.77 15.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.911 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.438 ' HA ' ' HD2' ' A' ' 55' ' ' PRO . 62.8 m-85 -144.75 104.97 4.55 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.62 0.724 . . . . 0.0 110.875 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.438 ' HD2' ' HA ' ' A' ' 54' ' ' PHE . 53.6 Cg_endo -69.79 -29.43 23.72 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.663 2.242 . . . . 0.0 112.355 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.2 mtpp -71.35 -52.69 17.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.899 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 49.7 mmm -41.43 -52.18 3.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 39.1 t -68.43 129.22 32.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.182 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -132.19 86.03 2.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.484 ' O ' ' N ' ' A' ' 62' ' ' ASN . 9.7 mmt -65.51 -39.43 91.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.401 ' C ' ' O ' ' A' ' 60' ' ' MET . 41.8 m80 -38.02 -27.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.484 ' N ' ' O ' ' A' ' 60' ' ' MET . 17.5 m120 -103.5 -64.4 1.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -50.73 141.93 12.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.919 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 16.9 t -143.95 133.01 11.35 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.636 0.732 . . . . 0.0 111.114 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 122.88 9.55 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.705 2.27 . . . . 0.0 112.322 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -113.49 171.78 7.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.111 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -123.59 14.35 9.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.95 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 69' ' ' LEU . 52.3 m -122.87 115.98 22.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.827 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.424 ' C ' ' O ' ' A' ' 68' ' ' SER . 38.8 tp -35.89 -59.7 0.57 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.931 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.47 ' HG3' ' N ' ' A' ' 71' ' ' GLN . 5.8 pt20 -41.04 -52.38 3.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.47 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 41.1 tp60 -60.37 -52.72 64.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 10.7 mmmm -42.9 -65.17 0.51 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.764 HD21 ' HA ' ' A' ' 97' ' ' ARG . 18.3 mt -43.73 -44.23 6.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.945 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.8 t -51.21 -56.39 13.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -54.15 -56.67 15.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.888 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.435 ' CZ2' HG21 ' A' ' 99' ' ' ILE . 32.6 m95 -42.87 -42.06 3.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -51.79 -41.94 52.02 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.462 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -68.92 -54.08 17.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.79 0.329 . . . . 0.0 110.847 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 5.7 tp -53.39 -18.09 2.36 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.597 ' HA ' HD12 ' A' ' 84' ' ' LEU . 31.9 t-20 -76.2 -43.66 41.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 70.6 mtp180 -93.67 2.67 56.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 16.3 mmtt -111.33 -30.37 7.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 77.6 t -117.92 -74.4 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.123 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.597 HD12 ' HA ' ' A' ' 80' ' ' ASN . 38.9 mt -38.64 -52.94 1.65 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.1 mtpm? -56.37 -44.2 79.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 26.7 mmt85 -65.34 -20.49 66.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 12.9 mt -105.68 27.54 8.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 47.48 35.48 4.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -114.64 148.35 38.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 90.0 p -136.47 141.05 43.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 10.5 t -138.43 131.81 16.38 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.634 0.73 . . . . 0.0 111.106 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.645 ' HG2' HG23 ' A' ' 95' ' ' VAL . 53.6 Cg_endo -69.79 152.88 69.28 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.641 2.228 . . . . 0.0 112.354 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -64.11 -23.81 67.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.853 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -68.55 -34.43 75.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.645 HG23 ' HG2' ' A' ' 92' ' ' PRO . 39.6 t -75.67 -41.95 41.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.101 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.689 ' HA ' HD12 ' A' ' 99' ' ' ILE . 8.3 mtm -57.39 -44.38 84.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.764 ' HA ' HD21 ' A' ' 73' ' ' LEU . 32.1 mtm180 -53.92 -46.96 71.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.901 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.728 ' HB2' HG11 ' A' ' 106' ' ' VAL . 32.8 mttm -58.83 -46.73 87.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.689 HD12 ' HA ' ' A' ' 96' ' ' MET . 43.9 mt -53.25 -60.22 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.163 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -56.35 -19.24 13.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.059 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -90.25 21.8 3.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.91 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 13.3 p 42.98 41.96 2.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -91.34 114.31 61.28 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.553 0.692 . . . . 0.0 111.129 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 138.02 36.93 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.64 2.227 . . . . 0.0 112.324 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 97.95 -2.59 60.05 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.474 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.728 HG11 ' HB2' ' A' ' 98' ' ' LYS . 21.1 t -106.33 -66.08 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.896 0.379 . . . . 0.0 111.163 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.413 HG13 ' N ' ' A' ' 108' ' ' GLU . 7.1 p -49.52 -41.02 15.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.098 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.48 ' HA ' HD12 ' A' ' 111' ' ' LEU . 15.5 mp0 -52.64 -49.74 64.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 34.1 mt -47.74 -20.82 0.31 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.941 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 2.5 t -98.6 -28.59 3.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.126 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.48 HD12 ' HA ' ' A' ' 108' ' ' GLU . 50.8 mt -72.17 -38.47 69.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.527 ' N ' ' HD2' ' A' ' 113' ' ' PRO . 3.5 mt -51.91 -57.93 13.06 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.61 0.719 . . . . 0.0 111.154 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 112' ' ' ILE . 53.5 Cg_endo -69.79 -50.17 0.49 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.656 2.238 . . . . 0.0 112.391 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 113' ' ' PRO . 6.7 tp -37.29 -61.75 0.56 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.471 ' CZ ' ' HB2' ' A' ' 23' ' ' TRP . 33.6 ttt180 -53.68 -47.81 70.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 -52.8 -43.92 66.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.906 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 29.8 mmm180 -67.3 -52.67 37.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.565 HD21 HG23 ' A' ' 50' ' ' ILE . 21.7 mt -41.01 -54.2 2.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.949 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -42.04 -61.84 1.06 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.871 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -45.91 -37.01 5.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 8.0 mmt180 -77.61 -32.6 53.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.888 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 51.1 tp60 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.883 -179.92 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 81.2 mm-40 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.85 0.357 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.425 HD21 ' HG3' ' A' ' 108' ' ' GLU . 6.9 tp -63.6 -41.14 98.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.935 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -61.55 -52.79 62.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.926 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 15.8 mt -56.5 -44.58 80.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.966 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 11.7 t90 -46.24 -35.96 5.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 59.1 t -66.53 -55.85 16.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.148 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -49.85 -43.31 48.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.847 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -43.21 -36.74 1.85 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.859 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.467 HD13 HG13 ' A' ' 49' ' ' VAL . 8.5 mt . . . . . 0 C--N 1.328 -0.337 0 CA-C-O 121.662 0.744 . . . . 0.0 111.087 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.853 0.359 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.562 ' HA ' HD23 ' A' ' 45' ' ' LEU . 7.4 m-85 -60.31 -38.62 84.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.844 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 40' ' ' PHE . 7.1 t -34.4 -37.7 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.887 -179.783 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.413 ' N ' ' O ' ' A' ' 40' ' ' PHE . 0.9 OUTLIER -84.62 97.86 9.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.855 179.941 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 44' ' ' VAL . . . -38.87 -42.89 1.61 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.499 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.69 HG13 ' CE ' ' A' ' 60' ' ' MET . 54.0 t -35.87 -40.54 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.804 0.335 . . . . 0.0 111.111 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.562 HD23 ' HA ' ' A' ' 40' ' ' PHE . 19.2 tp -73.31 -53.62 10.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 88.8 t -39.36 -43.97 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.167 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.468 ' HA ' HD12 ' A' ' 50' ' ' ILE . . . -58.12 -43.29 87.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.106 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -54.36 -50.92 66.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.907 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.467 HG13 HD13 ' A' ' 27' ' ' ILE . 97.4 t -46.87 -47.19 8.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.139 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.468 HD12 ' HA ' ' A' ' 47' ' ' ALA . 59.4 mt -52.02 -41.31 31.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.142 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.455 ' HA ' ' CG2' ' A' ' 58' ' ' VAL . 0.9 OUTLIER -38.73 -58.08 1.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.926 179.845 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.419 ' C ' ' O ' ' A' ' 51' ' ' LYS . 21.8 t80 -36.02 -54.57 0.77 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.527 ' CD2' ' HB3' ' A' ' 118' ' ' LEU . 51.9 m-85 -74.68 -59.1 2.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.927 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -135.16 116.84 12.33 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.64 0.733 . . . . 0.0 110.889 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -39.45 6.38 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.657 2.238 . . . . 0.0 112.331 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.9 ptpp? -63.3 -51.43 66.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.912 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.421 ' O ' ' C ' ' A' ' 58' ' ' VAL . 53.5 mmm -49.87 -43.68 49.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.541 HG12 ' H ' ' A' ' 60' ' ' MET . 55.1 t -34.59 -71.91 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.108 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 45.83 49.63 11.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.69 ' CE ' HG13 ' A' ' 44' ' ' VAL . 2.0 ppp? -83.52 -32.04 26.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.861 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.423 ' C ' ' O ' ' A' ' 60' ' ' MET . 13.8 t-80 -35.82 -60.25 0.54 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.859 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -39.82 -53.56 2.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -57.77 167.27 1.17 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.935 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.437 HG13 ' HD2' ' A' ' 65' ' ' PRO . 93.2 t -142.39 132.91 12.6 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.668 0.746 . . . . 0.0 111.112 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.437 ' HD2' HG13 ' A' ' 64' ' ' VAL . 53.5 Cg_endo -69.74 119.87 6.75 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.661 2.241 . . . . 0.0 112.317 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.435 ' CB ' ' HG3' ' A' ' 71' ' ' GLN . . . -124.77 169.95 11.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.118 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.6 p-10 -121.55 28.83 7.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.3 m -125.49 154.15 42.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.837 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 13.9 tp -63.92 -64.45 0.89 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.905 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.464 ' HG3' ' N ' ' A' ' 71' ' ' GLN . 29.2 pt20 -38.25 -48.55 1.3 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.464 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 17.4 mm100 -51.5 -60.61 2.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.411 ' HE2' ' CG ' ' A' ' 42' ' ' ASP . 24.9 mmtp -38.3 -65.87 0.31 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 13.4 mt -45.97 -46.86 16.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.953 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.6 t -49.83 -48.3 50.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 22.0 m-20 -68.39 -59.05 3.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.9 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 41.9 m95 -44.25 -46.41 9.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -54.09 -50.01 57.05 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.53 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 49.2 m-70 -61.14 -46.82 88.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.849 0.357 . . . . 0.0 110.884 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.6 tp -57.43 -23.87 52.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.551 ' CG ' HD12 ' A' ' 84' ' ' LEU . 36.8 t-20 -72.54 -28.15 62.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.846 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 32.1 mmt180 -108.55 1.93 21.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 18.7 mttp -113.99 -35.04 5.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.41 ' O ' ' C ' ' A' ' 84' ' ' LEU . 72.2 t -109.42 -72.27 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.107 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.551 HD12 ' CG ' ' A' ' 80' ' ' ASN . 73.2 mt -37.29 -55.61 1.01 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.937 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 22.9 tttm -44.37 -49.76 9.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.938 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 31.2 mmt180 -60.63 -30.25 69.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 13.1 mt -97.08 28.36 3.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 44.57 28.4 0.32 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -104.62 142.86 33.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 6.3 m -139.24 141.25 37.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.851 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.436 HG13 ' HD2' ' A' ' 92' ' ' PRO . 93.7 t -140.69 133.09 14.35 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.683 0.754 . . . . 0.0 111.104 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.729 ' HG2' HG23 ' A' ' 95' ' ' VAL . 53.7 Cg_endo -69.72 146.46 60.49 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 122.69 2.26 . . . . 0.0 112.39 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -50.93 -39.5 54.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.837 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 52.1 m-20 -50.34 -55.05 17.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.855 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.729 HG23 ' HG2' ' A' ' 92' ' ' PRO . 85.6 t -58.4 -39.23 73.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.15 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 15.0 mtm -63.41 -46.54 85.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 48.1 mtp180 -50.07 -36.51 29.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.63 ' HZ2' HG21 ' A' ' 106' ' ' VAL . 3.5 mtpm? -74.48 -46.36 40.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.918 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 72.9 mt -47.7 -55.33 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.116 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.72 -29.72 64.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.104 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -77.99 9.12 3.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 11.1 m 62.29 45.57 6.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -73.52 121.15 84.43 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.625 0.726 . . . . 0.0 111.094 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 104.62 1.34 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.658 2.239 . . . . 0.0 112.357 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 118.38 -57.55 0.54 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.498 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.63 HG21 ' HZ2' ' A' ' 98' ' ' LYS . 47.0 t -41.9 -53.71 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.839 0.352 . . . . 0.0 111.08 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.507 HG13 ' N ' ' A' ' 108' ' ' GLU . 14.8 p -59.46 -45.59 93.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.11 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.507 ' N ' HG13 ' A' ' 107' ' ' VAL . 7.5 mp0 -55.85 -48.23 75.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.816 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 56.7 mt -50.59 -18.52 0.7 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 24.9 t -100.33 -27.79 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 81.5 mt -73.69 -35.19 65.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.944 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.525 ' N ' ' HD2' ' A' ' 113' ' ' PRO . 3.7 mt -55.11 -57.86 17.75 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.62 0.724 . . . . 0.0 111.136 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.525 ' HD2' ' N ' ' A' ' 112' ' ' ILE . 54.1 Cg_endo -69.76 -37.34 9.31 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.715 2.277 . . . . 0.0 112.354 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 67.4 tp -44.0 -56.53 3.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.938 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.649 ' HA ' HD12 ' A' ' 118' ' ' LEU . 31.7 ttt180 -60.62 -49.05 79.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -46.97 -44.65 20.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 25.8 mmm180 -64.58 -54.97 23.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.851 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.649 HD12 ' HA ' ' A' ' 115' ' ' ARG . 27.8 mt -40.27 -41.86 1.41 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -68.24 -44.25 76.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -45.09 -43.02 9.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.407 ' O ' ' C ' ' A' ' 122' ' ' GLN . 30.3 mtp180 -68.06 -42.46 80.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.809 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 121' ' ' ARG . 29.2 tt0 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.89 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 87.6 mm-40 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.81 0.338 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.429 ' CD2' ' HG3' ' A' ' 108' ' ' GLU . 3.6 tp -60.08 -42.52 94.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -57.15 -53.04 62.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.913 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 64.0 mt -53.43 -54.83 31.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.941 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.516 ' CH2' ' HB3' ' A' ' 115' ' ' ARG . 5.5 t90 -39.94 -38.11 0.66 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.438 ' O ' ' C ' ' A' ' 25' ' ' ASP . 84.5 t -58.06 -57.7 9.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.121 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 24' ' ' VAL . 15.5 t0 -34.44 -52.49 0.49 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.852 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -43.46 -56.45 3.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 96.6 mt . . . . . 0 C--N 1.328 -0.339 0 CA-C-O 121.632 0.73 . . . . 0.0 111.135 179.887 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.851 0.358 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.438 ' O ' ' C ' ' A' ' 41' ' ' SER . 11.4 m-85 -79.26 -48.3 14.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.846 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 40' ' ' PHE . 47.8 p -34.3 -38.69 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.901 -179.816 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -78.44 124.62 28.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.835 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -60.41 -37.87 93.86 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.453 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.536 HG13 ' CE ' ' A' ' 60' ' ' MET . 54.8 t -40.43 -44.23 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.901 0.381 . . . . 0.0 111.146 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 30.6 tp -67.76 -49.39 62.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.407 HG21 ' CH2' ' A' ' 76' ' ' TRP . 81.1 t -48.3 -33.8 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.124 179.832 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.501 ' HB1' HG13 ' A' ' 58' ' ' VAL . . . -61.92 -50.12 73.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.122 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -48.62 -47.99 39.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.853 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 86.1 t -48.27 -43.05 11.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.119 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.408 ' O ' ' C ' ' A' ' 51' ' ' LYS . 49.6 mt -63.79 -39.74 86.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.131 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.667 ' HD2' HG21 ' A' ' 58' ' ' VAL . 24.1 tptt -36.19 -58.29 0.68 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.911 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.417 ' C ' ' CD1' ' A' ' 52' ' ' PHE . 9.5 t80 -39.36 -46.1 1.56 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.516 ' CG ' ' HB3' ' A' ' 118' ' ' LEU . 90.1 m-85 -86.06 -65.65 0.99 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.92 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.403 ' HA ' ' HD2' ' A' ' 55' ' ' PRO . 57.6 m-85 -124.08 105.39 31.77 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.681 0.753 . . . . 0.0 110.869 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 54' ' ' PHE . 53.5 Cg_endo -69.76 -44.37 2.12 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.661 2.241 . . . . 0.0 112.303 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.401 ' HG3' ' N ' ' A' ' 57' ' ' MET . 10.1 ptpp? -56.89 -45.02 82.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.845 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.422 ' O ' ' C ' ' A' ' 58' ' ' VAL . 39.4 mmm -56.64 -43.37 80.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.9 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.667 HG21 ' HD2' ' A' ' 51' ' ' LYS . 80.9 t -36.05 -62.41 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.114 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 55.89 45.25 24.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.935 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.536 ' CE ' HG13 ' A' ' 44' ' ' VAL . 0.0 OUTLIER -63.17 -50.41 70.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -44.18 -33.36 1.51 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -67.67 -54.15 21.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.918 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.504 ' CZ ' HD12 ' A' ' 79' ' ' LEU . 62.5 m-85 -75.74 165.72 24.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 73.7 t -146.75 130.18 8.22 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.658 0.742 . . . . 0.0 111.083 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 150.84 68.84 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.691 2.26 . . . . 0.0 112.346 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.419 ' HB2' ' HG2' ' A' ' 71' ' ' GLN . . . -149.93 177.64 9.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.062 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -96.91 -47.94 5.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.4 t -67.92 160.44 28.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.444 ' O ' ' C ' ' A' ' 70' ' ' GLN . 27.0 mt -75.92 -44.72 38.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.899 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.444 ' C ' ' O ' ' A' ' 69' ' ' LEU . 82.4 mt-30 -34.76 -49.91 0.44 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.419 ' HG2' ' HB2' ' A' ' 66' ' ' ALA . 47.0 tp60 -65.47 -55.85 15.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 7.6 mmpt? -38.14 -59.62 0.84 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.904 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.458 ' HG ' ' CB ' ' A' ' 100' ' ' ALA . 17.1 mt -55.51 -49.51 72.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.914 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 32.4 t -44.5 -51.75 8.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.878 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -61.89 -53.13 60.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.407 ' CH2' HG21 ' A' ' 46' ' ' VAL . 38.8 m95 -47.6 -50.47 24.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.903 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -49.81 -53.28 22.52 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.48 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.498 ' O ' ' CG ' ' A' ' 82' ' ' LYS . 19.6 m-70 -58.1 -32.3 67.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.802 0.334 . . . . 0.0 110.824 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.504 HD12 ' CZ ' ' A' ' 63' ' ' TYR . 2.2 tp -67.33 -23.77 65.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.946 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.498 ' CG ' HD12 ' A' ' 84' ' ' LEU . 36.0 t-20 -72.77 -29.47 63.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 57.0 mtp180 -109.85 2.58 19.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.835 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.498 ' CG ' ' O ' ' A' ' 78' ' ' HIS . 5.2 mmpt? -114.01 -28.71 7.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.907 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.444 ' O ' ' C ' ' A' ' 84' ' ' LEU . 60.7 t -123.0 -70.01 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.106 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.498 HD12 ' CG ' ' A' ' 80' ' ' ASN . 45.5 mt -34.56 -61.67 0.38 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.954 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 56.9 tttt -41.22 -55.41 2.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.94 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 16.9 mmt180 -48.83 -35.02 13.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 10.3 mt -98.2 31.31 2.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 7.1 m120 40.15 36.65 0.33 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.879 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -105.49 139.19 40.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 17.1 m -130.3 139.23 50.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.841 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 93.5 t -143.52 128.08 9.55 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.626 0.727 . . . . 0.0 111.124 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.819 ' HG2' HG23 ' A' ' 95' ' ' VAL . 53.0 Cg_endo -69.81 139.72 40.73 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.726 2.284 . . . . 0.0 112.308 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -42.22 -41.49 2.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -48.0 -54.01 14.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.882 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.819 HG23 ' HG2' ' A' ' 92' ' ' PRO . 91.3 t -56.21 -43.54 76.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.168 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.426 ' HA ' HD12 ' A' ' 99' ' ' ILE . 5.8 mtt -58.08 -46.0 86.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 44.6 mtm180 -48.1 -46.81 34.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.836 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.61 ' HB2' HG11 ' A' ' 106' ' ' VAL . 47.4 mttm -61.2 -57.7 11.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.872 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.426 HD12 ' HA ' ' A' ' 96' ' ' MET . 72.3 mt -41.14 -57.34 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.119 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.458 ' CB ' ' HG ' ' A' ' 73' ' ' LEU . . . -55.08 -28.01 49.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.084 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 98' ' ' LYS . 5.2 mm-40 -85.65 32.41 0.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' CYS . . . . . 0.435 ' C ' ' O ' ' A' ' 101' ' ' GLN . 29.3 p 35.35 50.26 0.53 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -89.73 119.9 69.47 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.551 0.691 . . . . 0.0 111.087 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 139.36 39.99 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.723 2.282 . . . . 0.0 112.337 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 88.3 -32.98 4.21 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.444 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.61 HG11 ' HB2' ' A' ' 98' ' ' LYS . 57.8 t -63.06 -64.3 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.849 0.357 . . . . 0.0 111.182 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 9.6 p -56.8 -32.21 37.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.096 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.429 ' HG3' ' CD2' ' A' ' 20' ' ' LEU . 8.4 mp0 -56.82 -46.37 81.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 16.7 mt -49.81 -29.12 7.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.953 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 90.3 t -94.87 -24.6 4.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.139 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 67.7 mt -69.61 -41.17 76.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.535 ' N ' ' HD2' ' A' ' 113' ' ' PRO . 4.3 mt -52.61 -57.6 15.13 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.64 0.733 . . . . 0.0 111.132 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.535 ' HD2' ' N ' ' A' ' 112' ' ' ILE . 53.9 Cg_endo -69.8 -24.47 29.48 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.678 2.252 . . . . 0.0 112.362 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 14.1 tp -55.01 -70.76 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.677 ' HA ' HD12 ' A' ' 118' ' ' LEU . 12.0 ptt85 -46.4 -48.55 18.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 36.3 mm-40 -44.07 -53.08 6.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.907 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -63.87 -44.96 91.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.677 HD12 ' HA ' ' A' ' 115' ' ' ARG . 79.5 mt -49.33 -55.33 13.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -68.3 -40.99 81.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -47.3 -49.65 23.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 41.7 mtp85 -70.66 -46.23 63.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.842 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.951 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 61.2 mm-40 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.815 0.34 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.526 HD12 ' HE3' ' A' ' 23' ' ' TRP . 4.2 tp -64.89 -52.58 55.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.926 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -44.52 -39.44 4.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.948 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 33.6 mt -63.69 -50.55 68.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.907 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.526 ' HE3' HD12 ' A' ' 20' ' ' LEU . 17.0 t90 -55.49 -62.04 1.94 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.958 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 91.8 t -44.0 -48.27 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.15 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -45.87 -51.69 12.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.845 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -48.36 -54.11 15.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 86.6 mt . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 121.603 0.716 . . . . 0.0 111.148 179.881 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.831 ' OD1' HD22 ' A' ' 45' ' ' LEU . 13.0 t0 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.837 0.351 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.449 ' O ' ' C ' ' A' ' 41' ' ' SER . 12.0 m-85 -60.23 -44.91 94.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.449 ' C ' ' O ' ' A' ' 40' ' ' PHE . 11.8 t -34.41 -39.49 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.445 ' O ' ' C ' ' A' ' 43' ' ' GLY . 7.8 m-20 -79.36 88.47 4.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.845 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 42' ' ' ASP . . . -34.18 -43.72 0.35 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.515 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.406 ' C ' ' O ' ' A' ' 43' ' ' GLY . 86.2 t -36.83 -48.23 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.82 0.343 . . . . 0.0 111.076 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.831 HD22 ' OD1' ' A' ' 39' ' ' ASP . 7.0 tp -67.76 -47.95 67.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.901 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 87.3 t -39.83 -54.49 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.129 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.413 ' HB3' ' SD ' ' A' ' 60' ' ' MET . . . -40.67 -45.93 2.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.127 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -50.58 -47.93 57.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.852 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 84.3 t -46.22 -55.48 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.145 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.462 ' CD1' HG11 ' A' ' 83' ' ' VAL . 42.4 mt -47.84 -43.71 10.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.152 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.461 ' N ' HG21 ' A' ' 58' ' ' VAL . 0.1 OUTLIER -36.73 -59.91 0.65 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 179.851 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.402 ' C ' ' O ' ' A' ' 51' ' ' LYS . 24.7 t80 -36.94 -41.97 0.37 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.847 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -82.93 -59.2 2.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.933 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.428 ' CZ ' ' HB3' ' A' ' 121' ' ' ARG . 47.0 m-85 -131.09 114.59 16.29 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.634 0.73 . . . . 0.0 110.91 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -50.6 0.46 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.696 2.264 . . . . 0.0 112.357 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 57' ' ' MET . 51.4 mttp -54.65 -61.72 2.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.422 ' C ' ' O ' ' A' ' 56' ' ' LYS . 39.3 mmm -36.09 -44.34 0.38 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.926 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.461 HG21 ' N ' ' A' ' 51' ' ' LYS . 91.5 t -72.58 102.26 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.116 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -104.27 55.96 0.72 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.413 ' SD ' ' HB3' ' A' ' 47' ' ' ALA . 79.1 mmm -57.62 -174.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 12.9 t-80 71.78 25.01 3.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.874 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.401 ' OD1' ' C ' ' A' ' 62' ' ' ASN . 0.9 OUTLIER -133.1 -38.17 0.97 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 -179.924 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.442 ' OH ' ' N ' ' A' ' 79' ' ' LEU . 14.2 m-85 -69.4 173.63 5.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 71.7 t -137.57 127.12 15.23 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.63 0.729 . . . . 0.0 111.147 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 155.89 64.93 Favored 'Trans proline' 0 N--CA 1.465 -0.159 0 C-N-CA 122.749 2.299 . . . . 0.0 112.362 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -165.49 179.61 6.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.1 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -129.2 -40.44 1.47 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 34.0 m -53.23 177.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.847 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.766 HD11 ' HG2' ' A' ' 101' ' ' GLN . 17.3 tp -89.08 -58.07 2.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.921 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -40.31 -46.24 2.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.419 ' O ' ' C ' ' A' ' 72' ' ' LYS . 34.9 tp60 -62.55 -59.48 4.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -36.07 -67.66 0.16 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.77 HD21 ' HA ' ' A' ' 97' ' ' ARG . 14.4 mt -41.61 -42.35 2.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.902 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.4 t -53.19 -50.85 63.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.84 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -60.96 -58.94 6.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.499 ' CZ2' HG21 ' A' ' 99' ' ' ILE . 33.3 m95 -48.81 -52.42 24.14 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -47.73 -46.95 24.74 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.455 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 29.5 m170 -65.83 -56.17 13.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.82 0.343 . . . . 0.0 110.85 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.442 ' N ' ' OH ' ' A' ' 63' ' ' TYR . 2.1 tp -52.08 -17.19 0.96 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.92 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.581 ' HA ' HD12 ' A' ' 84' ' ' LEU . 29.7 t30 -74.19 -41.2 61.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 27.4 mtm180 -106.21 -3.87 20.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 18.9 mmmt -99.34 -37.79 9.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.462 HG11 ' CD1' ' A' ' 50' ' ' ILE . 64.0 t -113.07 -75.19 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.136 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.581 HD12 ' HA ' ' A' ' 80' ' ' ASN . 83.1 mt -37.02 -48.26 0.77 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.948 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 84' ' ' LEU . 0.2 OUTLIER -37.03 -50.93 0.92 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.926 179.814 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 13.4 mmt180 -59.32 -37.96 79.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.489 ' N ' ' O ' ' A' ' 84' ' ' LEU . 20.4 mt -84.32 30.14 0.55 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.914 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 8.9 m120 37.03 38.64 0.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -114.8 124.83 52.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 46.3 m -120.38 141.67 49.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.844 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 95.1 t -136.57 128.48 17.08 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.647 0.737 . . . . 0.0 111.14 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 143.44 50.88 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.7 2.266 . . . . 0.0 112.378 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -43.62 -33.83 1.29 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.91 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -53.06 -60.64 3.03 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.817 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 76.1 t -61.03 -39.89 83.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.169 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 10.2 mtm -57.69 -47.83 81.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.87 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.77 ' HA ' HD21 ' A' ' 73' ' ' LEU . 83.6 mtt180 -49.57 -61.16 2.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' A' ' 101' ' ' GLN . 30.9 mttm -48.39 -57.24 6.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.499 HG21 ' CZ2' ' A' ' 76' ' ' TRP . 94.6 mt -41.43 -58.74 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.4 -26.17 60.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.123 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' GLN . . . . . 0.766 ' HG2' HD11 ' A' ' 69' ' ' LEU . 26.8 mt-30 -87.28 31.37 0.73 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' CYS . . . . . 0.446 ' C ' ' O ' ' A' ' 101' ' ' GLN . 22.0 t 34.43 41.82 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.451 ' HB3' HG21 ' A' ' 106' ' ' VAL . . . -71.2 143.99 89.12 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.523 0.677 . . . . 0.0 111.128 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.467 ' O ' HG23 ' A' ' 106' ' ' VAL . 53.8 Cg_endo -69.75 140.98 44.07 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.666 2.244 . . . . 0.0 112.358 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 44.07 60.52 3.47 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.502 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 104' ' ' PRO . 44.0 t -132.55 -64.43 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.89 0.376 . . . . 0.0 111.139 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 8.8 p -58.69 -32.86 47.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.132 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.43 ' HG3' ' CD2' ' A' ' 20' ' ' LEU . 15.1 mp0 -55.02 -45.8 75.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 11.1 mt -44.2 -30.89 0.85 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.912 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 48.6 t -92.88 -28.37 4.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.16 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 90.7 mt -70.71 -36.39 73.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.515 ' N ' ' HD2' ' A' ' 113' ' ' PRO . 3.7 mt -57.25 -58.0 21.03 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.629 0.728 . . . . 0.0 111.153 179.821 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.515 ' HD2' ' N ' ' A' ' 112' ' ' ILE . 54.2 Cg_endo -69.76 -21.87 32.87 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.678 2.252 . . . . 0.0 112.348 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 17.7 tp -51.36 -69.87 0.1 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.912 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.449 ' HA ' HD12 ' A' ' 118' ' ' LEU . 23.7 ptt180 -47.47 -48.0 27.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -45.56 -61.12 1.82 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 15.2 mmp_? -57.79 -50.72 72.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.461 HD23 HD21 ' A' ' 87' ' ' LEU . 34.5 mt -47.56 -41.76 22.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.947 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -54.78 -49.01 71.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -63.21 -35.59 80.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.428 ' HB3' ' CZ ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -64.15 -29.79 70.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.832 -179.935 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 18.8 tp60 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -179.914 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.638 ' HA ' HD12 ' A' ' 22' ' ' LEU . 1.5 mp0 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.834 0.35 . . . . 0.0 110.938 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.631 HD12 ' HE3' ' A' ' 23' ' ' TRP . 9.0 tp -60.93 -54.99 38.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.935 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -47.6 -40.2 18.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.638 HD12 ' HA ' ' A' ' 19' ' ' GLN . 6.5 mt -66.78 -56.6 9.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.934 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.7 ' CD1' ' CZ ' ' A' ' 115' ' ' ARG . 7.5 t90 -40.6 -41.51 1.49 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 44.0 t -65.24 -47.14 88.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.184 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.412 ' C ' ' OD1' ' A' ' 25' ' ' ASP . 0.6 OUTLIER -54.61 -30.78 55.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.872 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -62.77 -53.58 52.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 59.9 mt . . . . . 0 C--N 1.329 -0.299 0 CA-C-O 121.658 0.742 . . . . 0.0 111.167 179.887 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.465 ' O ' HD23 ' A' ' 45' ' ' LEU . 21.8 t70 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.841 0.353 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -76.06 -40.31 53.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.4 m -43.68 -24.29 0.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.82 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.26 94.15 6.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -41.43 -34.43 1.07 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.49 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 62.5 t -53.43 -51.95 36.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.882 0.372 . . . . 0.0 111.158 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.465 HD23 ' O ' ' A' ' 39' ' ' ASP . 34.7 tp -59.55 -38.78 81.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.91 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 88.7 t -56.7 -30.73 33.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.123 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.444 ' CB ' ' HE3' ' A' ' 60' ' ' MET . . . -64.69 -40.79 95.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.131 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 91.5 mt-10 -55.45 -46.59 76.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 24.5 t -50.48 -34.35 11.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.132 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 48.5 mt -74.6 -32.69 30.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.118 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 24.4 tptt -47.89 -46.36 31.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.904 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -52.89 -33.33 49.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.751 ' CE1' HD13 ' A' ' 118' ' ' LEU . 80.7 m-85 -88.41 -69.63 0.69 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.936 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -121.62 117.49 30.07 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.627 0.727 . . . . 0.0 110.879 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -13.6 34.81 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.684 2.256 . . . . 0.0 112.323 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.5 ptmt -94.75 -48.47 6.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 77.7 mmm -46.91 -35.79 6.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.409 ' CG1' ' HG2' ' A' ' 60' ' ' MET . 95.0 t -50.75 -63.34 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.116 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 59.33 49.79 8.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.444 ' HE3' ' CB ' ' A' ' 47' ' ' ALA . 7.3 mmt -84.17 61.29 6.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.878 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 17.4 m80 -119.5 -42.83 2.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.935 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.451 ' O ' HG23 ' A' ' 64' ' ' VAL . 0.7 OUTLIER -87.47 -52.05 5.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 -179.946 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 48.9 m-85 -44.83 147.58 0.63 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 62' ' ' ASN . 76.0 t -144.39 129.89 9.63 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.623 0.725 . . . . 0.0 111.116 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 107.84 1.94 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.696 2.264 . . . . 0.0 112.351 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -98.25 165.98 11.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.091 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 70.4 m-20 -100.17 -38.26 8.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.0 t -66.49 -176.24 0.44 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.447 HD22 ' HA ' ' A' ' 69' ' ' LEU . 1.5 tm? -92.88 -69.28 0.75 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.939 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.444 ' C ' ' O ' ' A' ' 69' ' ' LEU . 2.1 tm0? -34.49 -55.41 0.53 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 5.5 tm0? -42.77 -63.76 0.73 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -44.43 -55.3 5.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 15.5 mt -45.06 -42.16 8.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.928 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 9.8 t -55.75 -58.04 9.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.835 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -47.05 -56.97 5.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 45.5 m95 -43.59 -56.44 3.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -44.99 -37.97 5.75 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.512 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.479 ' CE1' ' HE2' ' A' ' 82' ' ' LYS . 3.2 t-160 -73.94 -40.95 62.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.804 0.335 . . . . 0.0 110.836 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 5.5 tp -63.75 -15.52 58.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.771 ' HA ' HD12 ' A' ' 84' ' ' LEU . 57.7 t-20 -81.91 -27.93 33.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 56.2 mtp180 -109.58 -5.37 15.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.479 ' HE2' ' CE1' ' A' ' 78' ' ' HIS . 15.2 mmtm -106.3 -37.46 6.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.426 ' O ' ' C ' ' A' ' 84' ' ' LEU . 87.4 t -112.02 -74.97 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.146 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.771 HD12 ' HA ' ' A' ' 80' ' ' ASN . 89.1 mt -34.87 -51.5 0.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -43.23 -56.25 3.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 179.816 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 14.6 mmm180 -57.34 -25.07 58.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.812 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.477 ' O ' ' CD ' ' A' ' 117' ' ' ARG . 15.9 mt -99.09 22.5 10.28 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.887 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 14.0 m-20 46.24 33.53 1.84 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.887 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -111.56 138.85 47.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.869 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.7 t -134.69 146.79 49.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 6.7 t -143.7 132.74 11.41 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.619 0.723 . . . . 0.0 111.134 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 -175.16 1.06 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.687 2.258 . . . . 0.0 112.365 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -83.31 -51.38 7.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -41.61 -41.34 2.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 42.9 t -68.26 -52.54 36.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.119 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 4.7 mtt -50.28 -41.56 50.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.93 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 54.5 mtp180 -58.69 -39.14 79.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 78.7 mttt -69.2 -53.62 19.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 66.3 mt -43.93 -63.93 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.099 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -56.82 -17.51 9.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.069 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 18.9 mm-40 -91.68 13.21 18.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.909 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 24.4 m 58.28 49.89 10.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.907 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -94.25 117.58 67.09 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.539 0.685 . . . . 0.0 111.07 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 143.61 51.15 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.635 2.224 . . . . 0.0 112.344 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 82.62 -13.88 39.26 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.487 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 90.9 t -83.99 -73.27 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.869 0.366 . . . . 0.0 111.159 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.405 HG13 ' N ' ' A' ' 108' ' ' GLU . 9.5 p -50.87 -39.58 19.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.155 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.521 ' HG3' HD21 ' A' ' 20' ' ' LEU . 8.0 mp0 -52.5 -48.09 66.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 33.4 mt -45.37 -24.16 0.27 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.934 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 74.9 t -91.95 -28.16 4.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.104 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 108' ' ' GLU . 95.2 mt -71.58 -40.59 69.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.537 ' N ' ' HD2' ' A' ' 113' ' ' PRO . 3.5 mt -50.77 -57.81 12.22 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.63 0.728 . . . . 0.0 111.128 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.537 ' HD2' ' N ' ' A' ' 112' ' ' ILE . 54.1 Cg_endo -69.77 -40.18 5.61 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.647 2.231 . . . . 0.0 112.342 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 25.3 tp -39.59 -54.25 2.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.7 ' CZ ' ' CD1' ' A' ' 23' ' ' TRP . 5.1 ttm180 -58.17 -59.36 5.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.935 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 115' ' ' ARG . 36.5 mt-30 -37.67 -51.57 1.23 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.477 ' CD ' ' O ' ' A' ' 87' ' ' LEU . 9.0 mtt-85 -64.04 -50.69 67.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.842 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.751 HD13 ' CE1' ' A' ' 53' ' ' TYR . 49.7 mt -51.1 -37.58 46.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.937 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -69.46 -32.92 72.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.946 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -77.63 -39.16 46.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 26.2 mmt-85 -61.81 -43.07 99.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 10.9 tp60 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 -179.919 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 29.4 mm100 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.806 0.336 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.432 HD11 ' HB3' ' A' ' 111' ' ' LEU . 6.4 tp -70.95 -43.44 68.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -62.98 -21.86 66.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 81.2 mt -81.5 -34.56 31.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.94 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.418 ' CH2' HG11 ' A' ' 49' ' ' VAL . 20.5 t90 -58.73 -46.46 87.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.944 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 67.5 t -64.48 -27.34 42.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.106 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -47.75 -54.65 11.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.85 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 18.5 t30 -44.05 -33.94 1.61 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.884 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.46 ' CD1' HG13 ' A' ' 49' ' ' VAL . 3.1 mt . . . . . 0 C--N 1.328 -0.336 0 CA-C-O 121.637 0.732 . . . . 0.0 111.157 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 40' ' ' PHE . 17.0 t0 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.815 0.34 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.424 ' O ' ' C ' ' A' ' 41' ' ' SER . 9.5 m-85 -36.03 -40.36 0.2 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.859 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 40' ' ' PHE . 35.7 m -36.44 -60.18 0.6 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.836 -179.772 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -52.54 143.18 16.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -85.78 43.73 3.28 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.487 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 60.8 t -120.17 -66.38 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.862 0.363 . . . . 0.0 111.128 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 10.4 tp -52.75 -36.37 57.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 79.2 t -52.72 -39.53 31.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.111 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.51 -34.69 69.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.142 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -58.31 -47.51 83.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.46 HG13 ' CD1' ' A' ' 27' ' ' ILE . 84.9 t -48.15 -46.08 13.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.116 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.551 HG23 ' CD2' ' A' ' 118' ' ' LEU . 37.6 mt -62.7 -38.71 82.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.094 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.401 ' C ' ' HD2' ' A' ' 51' ' ' LYS . 0.5 OUTLIER -42.58 -54.61 3.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 179.86 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -39.32 -42.87 1.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.85 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 99.4 m-85 -86.98 -64.59 1.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.904 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.414 ' HA ' ' HD2' ' A' ' 55' ' ' PRO . 50.2 m-85 -112.93 89.17 13.08 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.666 0.746 . . . . 0.0 110.916 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 54' ' ' PHE . 53.9 Cg_endo -69.76 -2.53 10.32 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.729 2.286 . . . . 0.0 112.351 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 16.9 pttm -91.24 -52.94 4.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.937 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 18.3 mtm -47.9 -53.84 14.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.919 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 79.4 t -43.26 127.51 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.152 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -132.79 52.74 2.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.501 ' HE1' ' CB ' ' A' ' 63' ' ' TYR . 14.4 mmt -54.13 -14.98 1.25 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.835 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 60.5 m80 -44.83 -48.08 11.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.816 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.611 ' O ' HG23 ' A' ' 64' ' ' VAL . 8.0 p30 -88.5 -51.24 5.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.501 ' CB ' ' HE1' ' A' ' 60' ' ' MET . 71.4 m-85 -52.47 124.76 14.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.647 HG13 ' HD2' ' A' ' 65' ' ' PRO . 84.6 t -132.79 138.43 31.92 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.63 0.728 . . . . 0.0 111.15 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.647 ' HD2' HG13 ' A' ' 64' ' ' VAL . 53.9 Cg_endo -69.77 127.69 14.95 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.722 2.281 . . . . 0.0 112.311 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.419 ' CB ' ' HG2' ' A' ' 71' ' ' GLN . . . -129.96 173.93 10.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.06 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 58.7 m-20 -120.4 42.13 3.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 73.4 m -147.2 130.45 16.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 53.3 mt -48.55 -47.08 39.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.93 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -43.02 -51.76 5.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.419 ' HG2' ' CB ' ' A' ' 66' ' ' ALA . 55.4 tp60 -66.72 -51.25 58.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 42.8 mmtt -40.86 -61.94 0.89 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.624 HD21 ' HA ' ' A' ' 97' ' ' ARG . 19.1 mt -57.45 -50.13 74.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.937 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 34.0 t -42.45 -56.09 3.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 -54.21 -53.29 55.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 45.0 m95 -43.26 -62.86 0.93 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.892 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -41.36 -42.58 3.4 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.439 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 5.7 m170 -70.59 -40.46 73.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.809 0.338 . . . . 0.0 110.796 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 7.4 tp -69.29 -12.14 61.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.922 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.558 ' C ' HD21 ' A' ' 80' ' ' ASN . 0.2 OUTLIER -80.18 -33.08 38.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 179.919 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 44.8 mtt85 -105.06 -1.36 25.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 16.3 mttp -108.45 -30.06 8.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 67.7 t -115.22 -73.35 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.138 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 35.8 mt -41.96 -54.88 3.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 18.2 tttt -42.16 -42.68 3.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 21.4 mmt-85 -69.22 -36.16 76.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 16.6 mt -85.78 29.48 0.71 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.935 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 6.8 m120 42.74 25.87 0.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -100.64 174.84 5.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 30.4 m -165.55 129.97 2.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 15.8 t -128.15 132.99 24.66 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.61 0.719 . . . . 0.0 111.101 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 165.36 31.21 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.684 2.256 . . . . 0.0 112.362 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -77.7 -19.37 55.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.911 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -72.99 -32.93 65.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.849 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 18.7 t -80.82 -29.06 11.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.133 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.466 ' HA ' HD12 ' A' ' 99' ' ' ILE . 10.2 mtt -69.36 -49.7 53.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.889 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.624 ' HA ' HD21 ' A' ' 73' ' ' LEU . 15.5 ptt85 -47.35 -47.91 25.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.497 ' N ' ' CG ' ' A' ' 97' ' ' ARG . 32.1 mttm -55.84 -52.16 65.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.466 HD12 ' HA ' ' A' ' 96' ' ' MET . 54.5 mt -50.72 -55.94 5.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.132 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.85 -24.8 59.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.121 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 38.0 mm-40 -82.78 6.69 17.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.942 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 4.0 t 63.59 50.44 2.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -98.66 119.53 61.08 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.59 0.709 . . . . 0.0 111.15 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 131.42 21.23 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.676 2.251 . . . . 0.0 112.353 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 109.71 -63.88 0.27 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.49 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.5 t -43.17 -58.57 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.872 0.368 . . . . 0.0 111.149 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.568 HG13 ' N ' ' A' ' 108' ' ' GLU . 7.3 p -50.68 -50.26 23.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.144 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.568 ' N ' HG13 ' A' ' 107' ' ' VAL . 2.6 mp0 -51.72 -48.71 63.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.943 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 95.3 mt -51.0 -20.19 1.28 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.896 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 4.2 t -93.29 -26.7 4.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.116 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.432 ' HB3' HD11 ' A' ' 20' ' ' LEU . 91.1 mt -74.17 -37.38 64.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.535 ' N ' ' HD2' ' A' ' 113' ' ' PRO . 3.8 mt -55.63 -57.99 18.11 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.631 0.729 . . . . 0.0 111.085 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.535 ' HD2' ' N ' ' A' ' 112' ' ' ILE . 53.5 Cg_endo -69.75 -43.0 2.92 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.68 2.253 . . . . 0.0 112.316 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 4.6 tp -43.72 -50.49 7.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.425 ' C ' ' HD3' ' A' ' 115' ' ' ARG . 1.1 tmt_? -63.41 -44.62 94.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -53.76 -28.05 32.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -81.7 -57.6 3.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.863 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.551 ' CD2' HG23 ' A' ' 50' ' ' ILE . 21.2 mt -43.21 -45.61 5.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.958 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -61.94 -46.23 90.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -53.25 -50.13 65.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -59.49 -37.7 78.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 -179.949 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.7 t -169.21 164.12 10.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.872 0.368 . . . . 0.0 110.856 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.0 m -67.75 93.81 0.41 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.84 143.32 14.52 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.471 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 m -158.86 122.04 3.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.872 0.367 . . . . 0.0 110.895 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.3 m -90.46 129.13 36.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.85 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 73.1 152.14 1.84 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.489 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 37.7 mtm -92.05 121.14 33.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.78 0.324 . . . . 0.0 110.854 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -75.05 113.8 12.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.11 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 86.9 p -64.38 -44.01 92.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.84 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 25.2 p -108.41 173.68 6.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 99.6 t -93.21 129.45 43.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.091 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 -94.42 174.59 7.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -67.78 -26.02 65.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.401 ' HG3' ' N ' ' A' ' 16' ' ' ALA . 11.8 pt-20 -66.76 -42.13 86.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.401 ' N ' ' HG3' ' A' ' 15' ' ' GLU . . . -46.49 -44.61 17.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.051 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 33.6 mt -51.75 -58.4 6.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 8.3 t-160 -49.42 -54.09 19.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -49.17 -37.48 22.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.481 ' CD2' ' HG2' ' A' ' 108' ' ' GLU . 7.0 tp -77.33 -29.39 53.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 8.5 m-30 -72.82 -33.96 66.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.2 mt -78.78 -43.51 25.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.959 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 11.0 t90 -46.21 -47.88 17.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 63.4 t -56.52 -59.77 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.127 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -47.53 -46.25 27.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.873 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -47.29 -49.23 24.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.852 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.414 HG23 ' HD2' ' A' ' 28' ' ' PRO . 60.5 mt -65.76 131.97 94.77 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.578 0.704 . . . . 0.0 111.14 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.414 ' HD2' HG23 ' A' ' 27' ' ' ILE . 53.5 Cg_endo -69.81 94.64 0.54 Allowed 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.683 2.256 . . . . 0.0 112.276 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.587 HD11 HG22 ' A' ' 49' ' ' VAL . 14.8 mt -110.33 131.66 54.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.907 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.9 p -69.48 72.91 0.34 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.855 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 29.7 ptt180 -143.35 143.84 25.8 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.597 0.713 . . . . 0.0 110.842 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 -165.82 0.17 Allowed 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.722 2.282 . . . . 0.0 112.364 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.43 110.75 21.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.874 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 26.7 ptt180 -171.53 153.27 3.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.846 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -44.57 148.26 0.51 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.924 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.0 pp -89.12 -23.08 22.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.6 t -79.21 -23.89 43.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 7.8 mtm105 -88.56 -25.61 22.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.901 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -84.68 -60.9 1.92 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.549 ' CE1' HD12 ' A' ' 45' ' ' LEU . 5.8 m-85 -39.8 -43.54 1.45 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.1 t -41.6 -43.67 2.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.928 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.496 ' CG ' ' N ' ' A' ' 43' ' ' GLY . 0.4 OUTLIER -49.03 -52.22 26.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.845 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.496 ' N ' ' CG ' ' A' ' 42' ' ' ASP . . . 114.22 -47.74 1.01 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.462 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.4 ' N ' ' OD2' ' A' ' 42' ' ' ASP . 61.8 t -56.06 -20.34 9.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.821 0.344 . . . . 0.0 111.103 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.549 HD12 ' CE1' ' A' ' 40' ' ' PHE . 0.7 OUTLIER -74.05 -32.7 63.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 37.6 t -65.57 -41.88 91.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.104 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.18 -27.74 68.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.133 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -69.97 -48.91 56.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.864 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.587 HG22 HD11 ' A' ' 29' ' ' LEU . 51.2 t -49.1 -41.87 14.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.123 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.403 ' O ' ' C ' ' A' ' 51' ' ' LYS . 28.8 mt -66.21 -45.23 90.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.13 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 50' ' ' ILE . 19.1 tptp -37.95 -40.82 0.5 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.938 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -58.47 -52.58 65.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 -73.97 -55.78 5.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.954 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -127.2 93.15 42.1 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.64 0.733 . . . . 0.0 110.903 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -36.54 10.5 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.726 2.284 . . . . 0.0 112.35 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.9 ptmm? -60.99 -49.74 76.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 19.4 mmm -48.52 -52.51 22.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 41.5 t -67.16 147.31 12.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.129 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -118.91 -41.5 2.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 22.2 mmt 48.5 46.51 20.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.909 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 25.6 t-80 -126.66 -30.02 2.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 28.6 m-80 -94.72 -50.61 5.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -58.51 139.78 55.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 89.1 t -134.53 131.16 20.23 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.641 0.734 . . . . 0.0 111.139 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 122.01 8.7 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.686 2.257 . . . . 0.0 112.36 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -133.72 178.07 7.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.089 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 26.0 p30 -126.38 38.88 4.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.8 t -139.2 129.99 26.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 31.6 tp -45.57 -48.97 14.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.932 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -41.43 -58.05 2.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.945 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 17.1 mm100 -66.4 -44.65 82.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 20.1 mmtp -44.6 -64.2 0.74 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 15.4 mt -56.43 -47.33 79.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.915 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.9 t -51.52 -35.42 40.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -74.22 -49.39 23.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.889 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 38.7 m95 -56.81 -48.59 77.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.936 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -43.85 -50.81 7.22 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.516 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -64.94 -49.26 71.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.812 0.339 . . . . 0.0 110.845 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.7 tp -53.92 -15.82 1.55 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.53 ' HA ' HD12 ' A' ' 84' ' ' LEU . 36.6 t-20 -84.3 -28.7 26.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 38.1 mtm180 -110.72 4.3 19.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.885 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 41.9 mmtt -118.32 -34.54 4.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 72.2 t -111.06 -67.45 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.151 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.53 HD12 ' HA ' ' A' ' 80' ' ' ASN . 85.4 mt -44.06 -57.13 3.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.957 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 84' ' ' LEU . 52.5 tttt -37.65 -58.07 0.92 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.906 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -50.84 -36.52 37.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 84' ' ' LEU . 8.8 mt -90.29 29.02 1.31 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.898 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 47.3 t30 40.82 25.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.9 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.44 ' N ' ' O ' ' A' ' 87' ' ' LEU . 14.9 t80 -98.78 132.91 43.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 46.1 m -129.84 147.87 51.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.881 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.632 HG13 ' HD2' ' A' ' 92' ' ' PRO . 94.0 t -152.12 137.54 11.09 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.618 0.723 . . . . 0.0 111.141 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.638 ' HG2' HG23 ' A' ' 95' ' ' VAL . 54.3 Cg_endo -69.73 161.3 46.44 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.739 2.293 . . . . 0.0 112.326 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -65.61 -43.45 89.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -48.14 -41.87 27.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.638 HG23 ' HG2' ' A' ' 92' ' ' PRO . 69.6 t -69.37 -41.85 80.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.144 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.517 ' HA ' HD12 ' A' ' 99' ' ' ILE . 11.9 mtm -60.08 -52.13 66.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.882 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 65.1 mtt-85 -41.2 -45.71 2.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.842 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.709 ' HB2' HG11 ' A' ' 106' ' ' VAL . 45.6 mttt -65.78 -44.98 84.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.922 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.582 HG23 ' HB ' ' A' ' 107' ' ' VAL . 82.7 mt -52.52 -59.18 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.134 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -55.6 -26.4 43.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.109 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 8.9 mm100 -85.24 25.05 1.04 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 42.6 t 42.3 53.49 4.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -86.46 128.29 57.6 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.612 0.72 . . . . 0.0 111.103 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 128.12 15.58 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.71 2.273 . . . . 0.0 112.351 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 90.45 -38.43 3.22 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.504 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.709 HG11 ' HB2' ' A' ' 98' ' ' LYS . 58.1 t -58.01 -68.3 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.88 0.371 . . . . 0.0 111.155 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.582 ' HB ' HG23 ' A' ' 99' ' ' ILE . 2.1 p -57.75 -31.67 40.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.11 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.481 ' HG2' ' CD2' ' A' ' 20' ' ' LEU . 1.6 tm-20 -64.62 -37.61 88.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 38.1 mt -58.53 -13.94 6.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 53.6 t -104.85 -24.18 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.123 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 81.7 mt -69.73 -41.32 75.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.948 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.532 ' N ' ' HD2' ' A' ' 113' ' ' PRO . 3.8 mt -55.62 -57.85 18.84 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.637 0.732 . . . . 0.0 111.157 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.532 ' HD2' ' N ' ' A' ' 112' ' ' ILE . 53.8 Cg_endo -69.71 -32.24 19.17 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.713 2.275 . . . . 0.0 112.353 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 13.2 tp -51.87 -50.4 61.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.977 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.595 ' HA ' HD12 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -63.66 -44.76 92.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.91 179.895 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -55.13 -35.47 64.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.9 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 120' ' ' GLU . 47.5 mmt-85 -69.76 -57.86 4.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.595 HD12 ' HA ' ' A' ' 115' ' ' ARG . 22.0 mt -37.6 -53.64 1.2 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.93 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.494 ' OE2' ' NE ' ' A' ' 115' ' ' ARG . 45.7 mt-10 -54.87 -39.91 69.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 117' ' ' ARG . 14.3 tt0 -51.88 -33.13 35.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.891 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 9.3 mmp_? -77.81 -36.27 50.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.886 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 11.6 tm0? -54.81 -55.25 32.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.461 ' CG ' ' N ' ' A' ' 124' ' ' ARG . 1.1 ptm85 -58.92 -48.01 83.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.871 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.461 ' N ' ' CG ' ' A' ' 123' ' ' ARG . 7.6 mmm180 -40.77 129.08 2.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -83.13 76.01 9.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 1.1 mmmm -81.17 133.45 35.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.931 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.521 -0.231 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.5 t -112.26 124.68 52.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.89 0.376 . . . . 0.0 110.827 -179.696 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.7 m -94.48 101.09 12.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.864 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.93 121.13 0.72 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.528 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.9 m -154.61 168.12 27.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.864 0.364 . . . . 0.0 110.884 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.6 p -98.27 -46.65 5.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.72 79.35 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.481 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 32.7 mtt 52.17 44.15 29.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.768 0.318 . . . . 0.0 110.9 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -115.9 93.51 4.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.098 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 10.4 t -163.01 166.91 23.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.86 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 37.3 m -92.49 163.25 13.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.837 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.682 ' O ' HG12 ' A' ' 12' ' ' VAL . 39.7 t -109.54 35.78 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.098 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -52.8 174.27 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -55.01 -16.26 2.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -76.56 -42.16 43.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.87 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -49.44 -40.67 37.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.154 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.407 HD23 ' HA ' ' A' ' 17' ' ' LEU . 25.7 mt -50.79 -56.29 12.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.472 ' O ' ' N ' ' A' ' 21' ' ' TYR . 20.1 t-160 -50.76 -53.58 30.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -39.73 -39.56 0.79 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.495 HD23 ' OE1' ' A' ' 108' ' ' GLU . 12.2 tp -71.73 -37.41 70.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.476 ' CE1' ' OE1' ' A' ' 108' ' ' GLU . 16.0 m-85 -63.81 -47.73 79.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 39.1 mt -52.06 -45.75 64.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.858 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 18.2 t90 -49.56 -31.58 10.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.898 HG13 HD12 ' A' ' 29' ' ' LEU . 97.6 t -67.91 -52.51 38.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.174 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -42.86 -51.12 5.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 20.0 t30 -46.48 -38.35 9.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 91.8 mt -90.8 131.63 37.04 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.614 0.721 . . . . 0.0 111.125 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 92.73 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.651 2.234 . . . . 0.0 112.354 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.898 HD12 HG13 ' A' ' 24' ' ' VAL . 27.4 mt -101.69 157.45 16.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 40.5 t -105.8 122.6 46.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.835 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.464 ' NE ' ' N ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -174.94 145.64 0.92 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.642 0.734 . . . . 0.0 110.849 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.449 ' O ' ' C ' ' A' ' 33' ' ' LYS . 53.9 Cg_endo -69.74 159.85 51.89 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.726 2.284 . . . . 0.0 112.352 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 32' ' ' PRO . 0.0 OUTLIER -34.48 -47.85 0.33 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 179.879 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.446 ' NH2' ' NH1' ' A' ' 38' ' ' ARG . 22.2 ttp180 -38.76 138.5 0.52 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.921 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.414 ' C ' ' O ' ' A' ' 34' ' ' ARG . 2.3 t-20 -36.76 139.5 0.19 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.701 HD12 ' N ' ' A' ' 37' ' ' SER . 4.3 pp -62.8 -43.11 99.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.949 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.701 ' N ' HD12 ' A' ' 36' ' ' LEU . 36.0 t -37.78 -43.66 0.68 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.846 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.446 ' NH1' ' NH2' ' A' ' 34' ' ' ARG . 2.0 tmt_? -61.95 -46.96 87.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.839 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -63.52 -46.65 85.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.842 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.49 ' O ' ' N ' ' A' ' 42' ' ' ASP . 7.7 m-85 -51.62 -33.08 31.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 40' ' ' PHE . 31.1 t -36.21 -30.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.887 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.49 ' N ' ' O ' ' A' ' 40' ' ' PHE . 3.9 p30 -101.76 146.76 27.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.845 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 44' ' ' VAL . . . -69.37 -33.55 73.03 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.469 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.421 ' C ' ' O ' ' A' ' 43' ' ' GLY . 77.4 t -36.36 -57.06 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.878 0.37 . . . . 0.0 111.106 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 27.7 tp -63.89 -50.2 69.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 93.1 t -44.48 -47.83 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.145 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -48.62 -41.64 31.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.07 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -54.35 -43.88 71.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 99.5 t -49.53 -51.73 14.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.118 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.789 HD13 HG11 ' A' ' 83' ' ' VAL . 12.5 mt -58.05 -47.29 87.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.128 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.447 ' CD ' ' HB3' ' A' ' 55' ' ' PRO . 0.3 OUTLIER -35.34 -64.43 0.28 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 179.842 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.434 ' C ' ' O ' ' A' ' 51' ' ' LYS . 11.5 t80 -35.7 -60.44 0.52 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 -63.71 -59.58 4.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.936 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.414 ' HA ' ' HD2' ' A' ' 55' ' ' PRO . 55.6 m-85 -130.06 96.8 24.55 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.651 0.739 . . . . 0.0 110.893 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.447 ' HB3' ' CD ' ' A' ' 51' ' ' LYS . 53.8 Cg_endo -69.84 -18.61 36.53 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.679 2.253 . . . . 0.0 112.315 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 15.3 ptpt -77.21 -33.07 56.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.919 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 80.4 mtp -65.17 -46.9 78.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.871 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 92.4 t -63.53 136.89 25.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.084 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -100.98 -51.81 3.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 8.3 mmt 42.91 43.64 3.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.857 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 69.5 t60 -122.99 -18.24 6.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.817 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 14.0 p30 -124.37 -28.59 3.63 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 58.7 m-85 -68.43 120.78 15.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.917 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.59 HG13 ' HD2' ' A' ' 65' ' ' PRO . 83.9 t -125.76 136.97 29.11 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.631 0.729 . . . . 0.0 111.152 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.59 ' HD2' HG13 ' A' ' 64' ' ' VAL . 53.8 Cg_endo -69.78 125.04 11.68 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.676 2.25 . . . . 0.0 112.368 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -130.33 171.66 12.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.123 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 25.6 p-10 -114.92 25.77 10.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.879 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 70.4 m -123.08 131.67 53.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.82 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 25.7 tp -51.11 -48.15 61.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.909 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -50.01 -47.9 52.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 18.0 tp60 -64.23 -47.11 80.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 15.6 mmtp -46.02 -65.28 0.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 90.6 mt -54.26 -46.22 72.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.2 t -44.21 -44.05 7.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -72.33 -34.65 68.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 42.7 m95 -65.67 -59.77 3.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.956 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -44.51 -43.69 7.85 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.474 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 4.2 t-160 -67.79 -45.93 73.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.805 0.336 . . . . 0.0 110.86 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 5.2 tp -58.07 -18.12 22.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.933 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.709 ' HA ' HD12 ' A' ' 84' ' ' LEU . 57.7 t-20 -75.18 -36.78 61.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.822 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 15.7 mtp180 -105.65 3.45 29.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.845 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.459 ' O ' ' CZ ' ' A' ' 86' ' ' ARG . 23.9 mmtt -111.76 -22.87 10.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.789 HG11 HD13 ' A' ' 50' ' ' ILE . 46.7 t -130.92 -68.79 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.118 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.709 HD12 ' HA ' ' A' ' 80' ' ' ASN . 77.1 mt -40.93 -49.84 3.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.92 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 84' ' ' LEU . 33.3 ttpt -35.31 -57.32 0.6 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.929 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.508 ' H ' ' CD ' ' A' ' 86' ' ' ARG . 0.3 OUTLIER -52.71 -39.11 61.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.838 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.591 HD21 HD23 ' A' ' 118' ' ' LEU . 10.6 mt -86.71 28.93 0.83 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.426 ' C ' ' O ' ' A' ' 87' ' ' LEU . 8.0 m-20 36.09 36.73 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.597 ' CE1' HG13 ' A' ' 110' ' ' VAL . 8.5 t80 -111.57 121.94 46.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 53.3 m -122.54 126.56 48.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.662 HG13 ' HD2' ' A' ' 92' ' ' PRO . 86.3 t -119.55 138.71 26.9 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.613 0.721 . . . . 0.0 111.113 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.662 ' HD2' HG13 ' A' ' 91' ' ' VAL . 53.6 Cg_endo -69.74 -175.01 1.01 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.732 2.288 . . . . 0.0 112.331 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -90.65 -46.8 8.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.87 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -51.56 -20.32 1.88 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.87 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.494 ' CG2' ' HG2' ' A' ' 92' ' ' PRO . 37.6 t -87.89 -38.0 11.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 7.6 mtt -68.91 -43.84 74.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 24.3 mtm180 -52.5 -31.72 36.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.87 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 3.7 mtpm? -80.87 -42.67 21.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.487 HG23 ' HB ' ' A' ' 107' ' ' VAL . 96.6 mt -53.79 -50.41 52.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.144 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -69.97 -19.15 63.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.123 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 102' ' ' CYS . 13.0 mm100 -92.24 28.29 1.96 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.922 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' CYS . . . . . 0.407 ' C ' ' O ' ' A' ' 101' ' ' GLN . 20.0 p 36.99 52.82 1.1 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.686 ' HB1' ' HD2' ' A' ' 104' ' ' PRO . . . -75.73 163.37 67.59 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.574 0.702 . . . . 0.0 111.073 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.686 ' HD2' ' HB1' ' A' ' 103' ' ' ALA . 53.6 Cg_endo -69.77 119.65 6.56 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.7 2.266 . . . . 0.0 112.311 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 104' ' ' PRO . . . 35.1 85.6 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.496 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 57.6 t -134.41 -58.48 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.876 0.369 . . . . 0.0 111.162 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.487 ' HB ' HG23 ' A' ' 99' ' ' ILE . 6.3 p -61.55 -33.98 59.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.121 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.685 ' HA ' HD12 ' A' ' 111' ' ' LEU . 10.6 mm-40 -57.15 -30.74 64.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 35.2 mt -65.17 -25.1 67.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.597 HG13 ' CE1' ' A' ' 89' ' ' PHE . 45.0 t -93.64 -15.97 7.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.107 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.685 HD12 ' HA ' ' A' ' 108' ' ' GLU . 45.0 mt -82.68 -28.49 30.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.948 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.53 ' N ' ' HD2' ' A' ' 113' ' ' PRO . 3.8 mt -58.07 -57.87 22.81 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.612 0.72 . . . . 0.0 111.109 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.53 ' HD2' ' N ' ' A' ' 112' ' ' ILE . 53.9 Cg_endo -69.74 -35.16 13.2 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.659 2.239 . . . . 0.0 112.359 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 6.3 tp -45.89 -38.35 7.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 44.0 ttp180 -73.96 -42.11 60.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -61.39 -34.58 75.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.934 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 29.5 mmt-85 -71.96 -46.21 58.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.591 HD23 HD21 ' A' ' 87' ' ' LEU . 17.0 mt -64.22 -49.97 69.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -49.13 -33.88 12.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -52.25 -51.07 60.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 48.6 mtt85 -72.81 -31.87 65.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.834 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.433 ' O ' ' C ' ' A' ' 123' ' ' ARG . 13.6 tt0 -51.32 -42.89 61.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.904 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 122' ' ' GLN . 38.0 ptt85 -35.05 -41.33 0.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.855 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 26.8 mmm-85 -39.26 128.61 1.77 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 19.5 mmm180 -43.5 141.08 1.5 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.841 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 19.2 ttpp -148.93 159.61 44.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 5.1 pm0 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 179.95 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.8 p -119.07 -48.19 2.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.942 0.401 . . . . 0.0 110.907 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.4 m -41.86 162.71 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.842 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.32 -172.47 15.62 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.493 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.7 t -162.63 123.42 2.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.891 0.377 . . . . 0.0 110.856 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.4 p -113.34 176.15 5.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.87 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.89 75.5 0.31 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.472 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -72.82 160.91 31.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.793 0.33 . . . . 0.0 110.848 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -80.45 153.1 28.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.127 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 70.2 m -155.85 170.69 21.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.821 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.2 m -81.73 157.51 24.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.873 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 92.4 t -44.36 144.71 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.157 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -132.55 170.86 14.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.743 ' HA ' HD12 ' A' ' 17' ' ' LEU . 8.0 pt-20 -54.08 -41.37 68.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.929 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -54.37 -41.01 68.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.53 -34.18 77.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.1 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.743 HD12 ' HA ' ' A' ' 14' ' ' GLU . 24.1 mt -64.65 -51.0 64.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.912 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 10.9 t-160 -50.51 -53.63 28.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 33.9 mm-40 -45.33 -30.9 1.41 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.938 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.0 tp -82.95 -33.88 26.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -67.09 -37.53 84.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.938 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 21.6 mt -62.13 -57.05 13.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.92 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.503 ' CD2' ' HD2' ' A' ' 115' ' ' ARG . 6.5 t90 -39.59 -42.19 1.14 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 69.4 t -65.64 -53.63 36.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.124 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -49.75 -43.96 48.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -51.8 -54.86 24.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.463 HG23 ' HD2' ' A' ' 28' ' ' PRO . 79.7 mt -59.7 133.35 89.11 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.612 0.72 . . . . 0.0 111.156 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.463 ' HD2' HG23 ' A' ' 27' ' ' ILE . 53.9 Cg_endo -69.74 117.13 4.9 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.676 2.251 . . . . 0.0 112.363 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 21.6 mt -142.35 118.15 10.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.922 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.9 t -38.83 -52.08 1.73 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 32.7 mtt85 -46.8 158.81 0.4 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.531 0.681 . . . . 0.0 110.909 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -167.87 0.25 Allowed 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.699 2.266 . . . . 0.0 112.357 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.435 ' HD2' ' N ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -123.97 49.81 1.71 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.901 179.893 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -96.68 -179.11 4.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -39.9 104.04 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.534 HD12 ' N ' ' A' ' 37' ' ' SER . 4.3 pp -73.24 -38.8 65.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.911 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.534 ' N ' HD12 ' A' ' 36' ' ' LEU . 22.8 t -40.79 -38.49 0.93 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 13.6 tpp180 -91.19 -23.18 20.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.467 ' N ' ' O ' ' A' ' 36' ' ' LEU . 26.6 t0 -81.07 -64.23 1.23 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.435 ' O ' ' C ' ' A' ' 41' ' ' SER . 2.9 m-85 -45.58 -48.09 14.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 40' ' ' PHE . 2.4 m -35.54 -34.71 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.895 -179.8 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 40' ' ' PHE . 4.7 t70 -46.34 -52.81 12.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.848 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 113.08 -48.97 0.88 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.507 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.453 ' O ' ' HE1' ' A' ' 60' ' ' MET . 47.2 t -58.47 -37.02 61.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.845 0.355 . . . . 0.0 111.089 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 14.3 tp -69.19 -41.77 76.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 91.4 t -49.03 -36.04 7.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.134 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.35 -48.5 75.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.104 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -45.6 -51.21 12.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 81.2 t -49.1 -42.16 14.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.112 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 37.9 mt -66.86 -35.27 74.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.14 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 30.4 tptt -45.13 -51.86 9.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.891 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 43.8 t80 -43.28 -50.94 6.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -73.38 -58.05 3.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.935 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -132.69 120.6 16.71 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.638 0.732 . . . . 0.0 110.876 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -44.98 1.77 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.691 2.261 . . . . 0.0 112.365 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 37.4 mtpt -59.85 -52.4 65.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 64.6 mmm -38.54 -33.21 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.863 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 67.3 t -86.93 129.95 37.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.088 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.513 ' O ' ' CD2' ' A' ' 63' ' ' TYR . 27.3 mt-10 -129.92 71.67 1.46 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.453 ' HE1' ' O ' ' A' ' 44' ' ' VAL . 23.6 mmt -65.8 -39.56 91.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 24.1 t-80 -38.65 -35.22 0.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.839 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -90.46 -52.63 4.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.544 ' CZ ' HD12 ' A' ' 79' ' ' LEU . 41.2 m-85 -64.49 129.5 40.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.412 HG13 ' HD2' ' A' ' 65' ' ' PRO . 97.6 t -123.0 132.09 24.31 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.624 0.726 . . . . 0.0 111.084 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.412 ' HD2' HG13 ' A' ' 64' ' ' VAL . 54.4 Cg_endo -69.71 116.33 4.5 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.682 2.255 . . . . 0.0 112.376 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -114.26 168.47 9.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.097 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -94.58 -67.7 0.84 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 21.5 t -50.25 169.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.85 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.46 ' HA ' ' CG ' ' A' ' 72' ' ' LYS . 0.8 OUTLIER -89.12 -37.68 14.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.421 ' N ' ' HG ' ' A' ' 69' ' ' LEU . 1.5 pp0? -42.7 -42.27 3.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 43.2 tp60 -71.08 -41.49 70.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.46 ' CG ' ' HA ' ' A' ' 69' ' ' LEU . 47.1 mmtt -39.31 -66.73 0.26 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 18.5 mt -43.1 -45.05 5.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.6 t -49.37 -53.45 22.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 43.8 m-20 -59.81 -60.13 4.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.883 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 34.4 m95 -42.29 -50.44 4.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -44.51 -45.42 8.48 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.44 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 49.0 m170 -68.88 -48.02 64.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.833 0.349 . . . . 0.0 110.873 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.544 HD12 ' CZ ' ' A' ' 63' ' ' TYR . 3.0 tp -58.24 -13.54 5.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.528 ' C ' HD21 ' A' ' 80' ' ' ASN . 0.1 OUTLIER -86.13 -30.07 22.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.921 179.912 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 64.6 mtp180 -109.5 0.67 19.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.1 mmpt? -113.78 -37.04 4.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.865 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 97.2 t -107.76 -70.02 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.089 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.494 HD12 ' HA ' ' A' ' 80' ' ' ASN . 73.4 mt -40.49 -61.7 0.88 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.862 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 84' ' ' LEU . 24.0 ttpp -37.01 -51.64 0.94 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -53.5 -44.73 69.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.405 ' N ' ' O ' ' A' ' 84' ' ' LEU . 10.0 mt -87.17 31.85 0.71 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 40.09 36.93 0.34 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.438 ' CD2' HD22 ' A' ' 84' ' ' LEU . 12.9 t80 -109.77 143.33 39.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.569 ' O ' HG23 ' A' ' 91' ' ' VAL . 57.7 m -133.32 163.77 28.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 -179.764 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 90' ' ' SER . 10.8 t -159.53 129.73 3.5 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.59 0.709 . . . . 0.0 111.163 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.672 ' HG2' HG23 ' A' ' 95' ' ' VAL . 53.7 Cg_endo -69.78 155.27 66.28 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.658 2.239 . . . . 0.0 112.37 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -61.52 -34.95 76.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.864 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -56.04 -45.63 79.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.672 HG23 ' HG2' ' A' ' 92' ' ' PRO . 87.7 t -71.19 -36.83 63.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.115 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 4.5 mtt -58.31 -50.16 74.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 20.7 mtp85 -47.81 -54.19 13.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.542 ' CB ' HG11 ' A' ' 106' ' ' VAL . 14.5 mttm -53.99 -59.99 3.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.915 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 71.8 mt -45.25 -49.58 3.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.116 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -60.11 -27.02 66.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.111 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -84.45 12.8 6.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.942 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 99.8 m 56.43 46.58 20.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -81.08 136.75 49.97 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.608 0.718 . . . . 0.0 111.078 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 131.43 21.3 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.747 2.298 . . . . 0.0 112.37 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.453 ' O ' ' C ' ' A' ' 106' ' ' VAL . . . 84.55 -58.64 4.98 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.505 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.542 HG11 ' CB ' ' A' ' 98' ' ' LYS . 39.3 t -33.81 -53.63 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.875 0.369 . . . . 0.0 111.131 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.523 HG13 ' N ' ' A' ' 108' ' ' GLU . 8.8 p -67.84 -46.66 81.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.122 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.523 ' N ' HG13 ' A' ' 107' ' ' VAL . 42.0 mp0 -53.93 -33.8 57.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.465 HD12 ' HA ' ' A' ' 106' ' ' VAL . 38.6 mt -59.85 -21.3 60.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.948 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 2.6 t -102.21 -16.59 7.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.156 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 72.8 mt -74.49 -43.29 56.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.921 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.526 HG22 ' N ' ' A' ' 113' ' ' PRO . 3.3 mt -52.24 -58.45 11.49 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.582 0.706 . . . . 0.0 111.136 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.526 ' N ' HG22 ' A' ' 112' ' ' ILE . 53.6 Cg_endo -69.76 -18.05 37.23 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.631 2.221 . . . . 0.0 112.346 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 13.5 tp -69.13 -45.54 69.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.503 ' HD2' ' CD2' ' A' ' 23' ' ' TRP . 37.8 ttt-85 -79.85 -44.8 19.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.402 ' CG ' ' N ' ' A' ' 117' ' ' ARG . 5.4 pt20 -47.0 -42.39 17.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.402 ' N ' ' CG ' ' A' ' 116' ' ' GLN . 15.7 mmm180 -69.07 -54.83 13.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 84.4 mt -41.16 -54.53 2.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.866 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -44.98 -40.73 6.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -53.36 -44.58 68.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.871 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 47.3 mtp85 -76.0 -52.9 9.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.849 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 6.0 tp60 -46.72 -55.75 7.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 22.6 ptt85 -77.79 165.4 24.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 14.0 mmm180 -144.58 153.96 42.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 38.5 mtp180 -85.02 174.27 9.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 4.0 mppt? -84.27 138.77 32.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.925 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 179.99 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.9 m -125.31 42.21 3.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.907 0.384 . . . . 0.0 110.87 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.3 t -46.04 140.95 3.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.813 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -104.44 152.09 17.5 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.516 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.2 p -108.91 110.46 21.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.865 0.364 . . . . 0.0 110.882 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 t -81.29 166.4 20.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.834 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.32 113.85 0.31 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.508 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -161.14 169.82 21.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.762 0.315 . . . . 0.0 110.869 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -97.11 84.65 3.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.138 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.0 m -112.34 153.74 26.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.9 p -59.08 146.61 37.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.892 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 86.8 t -47.2 138.77 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.13 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.596 ' OD1' ' HB2' ' A' ' 16' ' ' ALA . 0.6 OUTLIER -124.58 176.82 6.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.831 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -62.58 -29.72 70.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.908 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -77.13 -41.62 41.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.936 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.596 ' HB2' ' OD1' ' A' ' 13' ' ' ASP . . . -43.4 -44.31 5.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.111 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 22.9 mt -67.48 -51.0 56.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.951 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.414 ' O ' ' C ' ' A' ' 19' ' ' GLN . 20.4 t-80 -43.4 -56.63 3.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.814 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.768 ' HA ' HD12 ' A' ' 22' ' ' LEU . 20.6 mm-40 -36.29 -46.99 0.56 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.961 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.7 tp -65.09 -46.12 82.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.928 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.428 ' CE2' HD13 ' A' ' 36' ' ' LEU . 17.6 m-85 -50.33 -44.34 54.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.768 HD12 ' HA ' ' A' ' 19' ' ' GLN . 10.5 mt -46.68 -48.4 20.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.913 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.488 ' CE2' ' HD3' ' A' ' 115' ' ' ARG . 10.6 t90 -47.21 -47.31 24.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.619 HG12 ' NH1' ' A' ' 31' ' ' ARG . 60.4 t -58.92 -40.18 79.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.099 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -56.93 -46.9 81.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -45.11 -33.61 2.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.489 ' CG2' ' HG ' ' A' ' 29' ' ' LEU . 6.1 mt -85.37 136.28 37.84 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.603 0.716 . . . . 0.0 111.133 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.489 ' O ' ' C ' ' A' ' 29' ' ' LEU . 53.7 Cg_endo -69.74 8.12 0.84 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.643 2.229 . . . . 0.0 112.377 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.935 HD11 HG22 ' A' ' 49' ' ' VAL . 64.9 mt -30.32 133.72 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 35.1 t -78.22 48.77 0.77 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.845 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.619 ' NH1' HG12 ' A' ' 24' ' ' VAL . 53.8 mtm-85 -62.62 144.44 95.99 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.608 0.718 . . . . 0.0 110.864 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -167.93 0.25 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.684 2.256 . . . . 0.0 112.334 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 68.1 mmtt -103.67 -34.35 8.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 21.5 mmm180 -54.87 174.52 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.864 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.414 ' O ' ' CG ' ' A' ' 39' ' ' ASP . 15.0 t-20 -44.19 145.57 0.76 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.428 HD13 ' CE2' ' A' ' 21' ' ' TYR . 7.4 mt -77.15 -48.56 17.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.2 t -42.59 -48.34 5.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 21.6 mtp180 -64.94 -44.98 87.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.861 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.414 ' CG ' ' O ' ' A' ' 35' ' ' ASN . 5.0 m-20 -56.82 -60.82 3.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.438 ' O ' ' C ' ' A' ' 41' ' ' SER . 18.2 m-85 -59.93 -49.35 78.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 40' ' ' PHE . 40.3 t -35.14 -39.15 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.84 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -54.34 -55.95 23.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.864 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 111.66 -45.08 1.37 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.507 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 74.7 t -45.71 -36.91 2.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.891 0.377 . . . . 0.0 111.138 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 22.2 tp -62.01 -51.2 69.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.968 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 91.2 t -39.73 -50.3 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.09 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -45.8 -47.53 15.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.106 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -49.06 -48.68 43.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.935 HG22 HD11 ' A' ' 29' ' ' LEU . 92.9 t -46.82 -53.22 3.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.177 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.447 ' O ' ' C ' ' A' ' 51' ' ' LYS . 77.0 mt -51.25 -46.55 33.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.156 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 50' ' ' ILE . 13.5 tptm -34.55 -58.56 0.49 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -40.94 -47.77 3.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -75.09 -52.74 10.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -138.84 112.75 8.3 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.634 0.73 . . . . 0.0 110.891 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.71 -43.99 2.38 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.674 2.249 . . . . 0.0 112.333 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.408 ' HG3' ' N ' ' A' ' 57' ' ' MET . 15.8 ptpt -59.95 -42.24 93.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.408 ' N ' ' HG3' ' A' ' 56' ' ' LYS . 48.1 mmm -49.63 -53.31 24.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.903 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 51.6 t -74.73 134.28 29.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.138 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -95.46 -58.0 2.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 3.7 mmt 59.55 45.98 12.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 8.7 m170 -131.68 -37.68 1.18 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.834 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -94.99 -45.98 7.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -58.89 147.59 33.35 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.649 HG13 ' HD2' ' A' ' 65' ' ' PRO . 85.2 t -155.83 138.67 10.59 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.604 0.716 . . . . 0.0 111.111 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.649 ' HD2' HG13 ' A' ' 64' ' ' VAL . 54.1 Cg_endo -69.78 127.62 14.83 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.647 2.231 . . . . 0.0 112.346 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -139.57 160.31 40.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.118 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 26.5 m120 -88.21 -55.01 3.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 41.7 t -43.04 160.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.826 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' A' ' 70' ' ' GLN . 12.2 mt -82.46 -44.78 15.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.913 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 69' ' ' LEU . 3.9 tm0? -38.02 -45.57 0.91 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.43 ' O ' ' C ' ' A' ' 72' ' ' LYS . 60.6 tp60 -68.26 -49.48 60.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.906 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 71' ' ' GLN . 17.1 mmtp -36.2 -56.42 0.76 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 77.7 mt -70.81 -35.75 72.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.935 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 39.4 t -51.1 -56.78 10.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -61.07 -61.92 2.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.885 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 37.1 m95 -41.3 -50.84 3.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.945 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -49.7 -48.17 36.71 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.492 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.463 ' O ' ' CG ' ' A' ' 82' ' ' LYS . 6.8 m-70 -64.94 -31.08 72.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.84 0.352 . . . . 0.0 110.862 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.8 tp -71.43 -12.75 61.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.711 ' C ' HD21 ' A' ' 80' ' ' ASN . 0.1 OUTLIER -79.6 -32.63 41.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.909 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 39.1 mtm180 -109.7 1.7 19.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.463 ' CG ' ' O ' ' A' ' 78' ' ' HIS . 27.4 mmtt -111.64 -30.23 7.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.425 ' O ' ' C ' ' A' ' 84' ' ' LEU . 93.6 t -121.38 -71.42 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.171 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.595 HD12 ' HA ' ' A' ' 80' ' ' ASN . 65.6 mt -35.89 -60.33 0.54 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.94 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 12.5 tptm -46.39 -45.44 17.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 20.6 mmt180 -61.55 -36.85 81.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 15.3 mt -94.04 33.16 1.37 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.927 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 43.16 29.49 0.21 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.923 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -108.31 157.17 18.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.856 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 59.5 p -155.15 142.22 19.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.839 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.54 HG13 ' HD2' ' A' ' 92' ' ' PRO . 72.2 t -145.31 135.33 11.77 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.661 0.743 . . . . 0.0 111.101 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.54 ' HD2' HG13 ' A' ' 91' ' ' VAL . 53.9 Cg_endo -69.71 167.01 25.62 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.678 2.252 . . . . 0.0 112.336 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -66.68 -34.61 78.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -54.95 -47.62 74.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.834 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.47 ' HB ' ' CG1' ' A' ' 91' ' ' VAL . 22.8 t -59.41 -47.62 90.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.157 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 7.7 mtt -57.37 -52.55 64.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.892 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 18.0 mtm-85 -39.48 -46.51 1.71 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.83 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.573 ' CB ' HG11 ' A' ' 106' ' ' VAL . 33.1 mttp -61.0 -54.47 44.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.846 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 82.2 mt -49.16 -62.94 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.131 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.425 ' HB1' ' HB3' ' A' ' 72' ' ' LYS . . . -52.31 -24.94 8.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.055 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.434 ' O ' ' C ' ' A' ' 102' ' ' CYS . 28.2 mm-40 -92.44 31.66 1.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' CYS . . . . . 0.434 ' C ' ' O ' ' A' ' 101' ' ' GLN . 4.8 t 35.79 44.49 0.23 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.579 ' HB3' HG21 ' A' ' 106' ' ' VAL . . . -76.67 143.05 71.05 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.541 0.686 . . . . 0.0 111.115 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.862 ' O ' HG23 ' A' ' 106' ' ' VAL . 53.7 Cg_endo -69.77 152.28 69.21 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.707 2.272 . . . . 0.0 112.306 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 104' ' ' PRO . . . 35.56 59.3 0.85 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.481 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.862 HG23 ' O ' ' A' ' 104' ' ' PRO . 91.5 t -131.01 -61.71 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.866 0.365 . . . . 0.0 111.126 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 12.0 p -60.75 -38.13 77.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.121 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 31.4 mp0 -58.26 -38.98 78.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 56.6 mt -53.33 -16.82 1.48 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.9 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 48.4 t -104.77 -28.04 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.142 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 94.3 mt -67.56 -42.83 81.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.945 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.52 ' N ' ' HD2' ' A' ' 113' ' ' PRO . 3.1 mt -48.96 -58.41 8.7 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.646 0.736 . . . . 0.0 111.129 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.52 ' HD2' ' N ' ' A' ' 112' ' ' ILE . 54.3 Cg_endo -69.72 -33.35 16.94 Favored 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.692 2.262 . . . . 0.0 112.361 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 16.8 tp -41.87 -45.63 3.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.956 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.488 ' HD3' ' CE2' ' A' ' 23' ' ' TRP . 13.1 mtm180 -67.41 -58.43 4.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.866 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 115' ' ' ARG . 10.2 mt-30 -34.4 -38.92 0.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.918 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -78.38 -52.04 9.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 83.5 mt -51.68 -46.96 64.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.933 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -58.34 -42.19 86.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -51.32 -55.17 19.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 29.8 mtt85 -67.24 -51.37 53.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -46.43 -69.85 0.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -50.55 166.4 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 60.0 mtt180 -142.16 124.95 15.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 14.4 tpt180 -95.79 124.71 39.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 127' ' ' GLN . 8.5 mtpt -87.93 171.36 10.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' A' ' 126' ' ' LYS . 38.2 mt-30 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.946 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t -174.05 167.06 4.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.907 0.384 . . . . 0.0 110.837 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.5 t -130.99 123.79 29.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.862 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.6 44.75 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.479 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.3 t -104.27 138.94 39.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.914 0.388 . . . . 0.0 110.841 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.0 p -80.92 -47.18 14.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.861 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.05 91.71 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.483 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.9 ttt -155.71 154.07 30.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.768 0.318 . . . . 0.0 110.837 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.73 119.82 12.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.075 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.6 m -141.99 167.42 22.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 76.1 p -66.67 151.27 47.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.831 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 94.6 t -48.24 136.35 4.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.153 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -94.81 174.31 7.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.479 ' HA ' HD12 ' A' ' 17' ' ' LEU . 12.6 pt-20 -62.87 -45.63 91.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.401 ' HG3' ' N ' ' A' ' 16' ' ' ALA . 17.9 pt-20 -55.16 -47.08 75.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.401 ' N ' ' HG3' ' A' ' 15' ' ' GLU . . . -47.84 -43.61 28.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.095 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.479 HD12 ' HA ' ' A' ' 14' ' ' GLU . 13.2 mt -61.1 -40.92 95.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.953 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -44.55 -47.61 10.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.841 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 80.1 mm-40 -49.27 -42.41 40.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.46 HD21 ' HG3' ' A' ' 108' ' ' GLU . 6.5 tp -67.43 -30.96 70.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -70.4 -25.55 63.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.933 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 70.0 mt -81.21 -46.37 14.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.925 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.731 ' CZ2' HD11 ' A' ' 27' ' ' ILE . 27.7 t90 -47.76 -44.22 27.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.415 HG11 HD13 ' A' ' 36' ' ' LEU . 47.7 t -58.32 -26.9 31.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.071 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -71.92 -46.97 55.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.489 ' OD1' ' N ' ' A' ' 27' ' ' ILE . 0.6 OUTLIER -52.67 -43.58 65.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 -179.923 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.731 HD11 ' CZ2' ' A' ' 23' ' ' TRP . 88.4 mt -52.41 126.57 38.29 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.632 0.729 . . . . 0.0 111.074 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 101.43 0.91 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.646 2.231 . . . . 0.0 112.363 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 15.0 mt -122.56 140.68 52.51 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.929 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 69.4 m -84.2 65.8 8.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -167.73 148.57 4.79 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.642 0.734 . . . . 0.0 110.839 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -166.34 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.682 2.255 . . . . 0.0 112.302 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.2 mptt -92.45 113.97 26.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.465 ' O ' ' N ' ' A' ' 36' ' ' LEU . 77.9 mtp180 -146.54 150.69 36.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.832 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -42.34 93.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.93 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.748 HD23 ' H ' ' A' ' 36' ' ' LEU . 1.0 OUTLIER -68.11 -27.96 66.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.923 179.934 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 37.9 t -48.15 -44.69 32.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 37.3 ttt180 -85.72 -51.92 6.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.831 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -45.05 -53.75 7.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.836 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.583 ' CE1' ' HB2' ' A' ' 36' ' ' LEU . 6.1 m-85 -47.24 -44.14 22.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 40' ' ' PHE . 7.3 p -37.73 -33.25 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.879 -179.793 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -56.26 -51.3 68.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 105.57 -42.36 1.92 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.489 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 69.9 t -55.74 -35.87 41.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.866 0.365 . . . . 0.0 111.131 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.0 tp -64.01 -50.27 69.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.966 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 85.9 t -49.7 -44.37 19.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.147 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -53.6 -37.56 63.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.085 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -66.14 -39.02 89.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.656 HG13 HD13 ' A' ' 27' ' ' ILE . 57.3 t -57.2 -39.8 69.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.145 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 46.9 mt -64.81 -34.21 68.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.147 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.426 ' N ' HG21 ' A' ' 58' ' ' VAL . 27.1 tptt -43.02 -54.26 4.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -44.04 -55.84 4.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.457 ' CD2' ' HB3' ' A' ' 118' ' ' LEU . 59.8 m-85 -64.87 -56.46 13.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 -139.95 108.87 7.02 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.656 0.741 . . . . 0.0 110.873 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -31.79 19.68 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.714 2.276 . . . . 0.0 112.323 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 14.8 pttp -69.22 -44.24 72.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.926 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 19.0 mmm -56.38 -29.43 61.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.426 HG21 ' N ' ' A' ' 51' ' ' LYS . 90.6 t -84.26 128.29 39.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.124 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -123.66 84.04 2.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 6.9 mmt -83.09 56.44 3.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 8.2 m170 -130.53 -33.57 1.64 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -93.64 -47.99 6.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -63.91 125.17 23.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.94 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.631 HG13 ' HD2' ' A' ' 65' ' ' PRO . 89.3 t -121.3 137.56 26.98 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.629 0.728 . . . . 0.0 111.135 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.631 ' HD2' HG13 ' A' ' 64' ' ' VAL . 53.4 Cg_endo -69.75 107.17 1.8 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.652 2.235 . . . . 0.0 112.357 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.414 ' O ' ' NZ ' ' A' ' 72' ' ' LYS . . . -109.53 176.52 5.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.092 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 57.0 m-20 -117.3 -39.27 3.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.0 m -59.17 171.79 0.69 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.403 ' C ' ' CD1' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -82.0 -58.05 3.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.939 179.947 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 69' ' ' LEU . 13.6 pt20 -38.07 -47.3 1.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.966 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -54.69 -47.5 73.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.414 ' NZ ' ' O ' ' A' ' 66' ' ' ALA . 0.0 OUTLIER -49.44 -64.37 0.83 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.901 179.939 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.749 HD21 ' HA ' ' A' ' 97' ' ' ARG . 22.9 mt -50.71 -46.33 58.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.897 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 6.2 t -55.56 -47.65 76.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.85 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 17.9 m-20 -61.03 -59.32 5.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.49 ' CZ2' HG21 ' A' ' 99' ' ' ILE . 34.9 m95 -48.98 -51.56 29.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -38.36 -50.94 2.31 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.479 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 17.7 m80 -62.64 -54.49 38.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.862 0.363 . . . . 0.0 110.891 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.0 tp -46.14 -22.49 0.23 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.936 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.707 ' HA ' HD12 ' A' ' 84' ' ' LEU . 37.9 t-20 -77.83 -38.63 45.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 19.2 mmm180 -103.32 4.65 36.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 13.8 mmtm -115.16 -31.88 5.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.417 ' O ' ' C ' ' A' ' 84' ' ' LEU . 78.6 t -117.16 -74.44 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.122 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.707 HD12 ' HA ' ' A' ' 80' ' ' ASN . 73.7 mt -36.52 -58.31 0.72 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 19.6 ttpp -38.48 -53.15 1.57 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 29.8 mmt180 -57.36 -38.45 74.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.81 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 84' ' ' LEU . 18.3 mt -84.62 29.43 0.61 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.927 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 60.6 t30 42.72 34.84 0.62 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -111.84 144.11 41.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 57.7 m -134.36 147.51 50.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.673 HG13 ' HD2' ' A' ' 92' ' ' PRO . 97.7 t -147.83 138.89 13.34 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.581 0.705 . . . . 0.0 111.158 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.673 ' HD2' HG13 ' A' ' 91' ' ' VAL . 53.5 Cg_endo -69.8 163.0 39.94 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.702 2.268 . . . . 0.0 112.319 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -73.31 -20.32 60.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -72.43 -49.19 35.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.905 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 16.4 t -60.64 -32.98 53.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.147 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 11.6 mtm -63.28 -44.59 94.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.871 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.749 ' HA ' HD21 ' A' ' 73' ' ' LEU . 41.1 mtt180 -49.9 -52.3 34.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.84 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.441 ' HB2' HG11 ' A' ' 106' ' ' VAL . 30.2 mttm -53.1 -58.36 7.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.88 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.49 HG21 ' CZ2' ' A' ' 76' ' ' TRP . 83.4 mt -44.37 -56.07 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.078 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -61.57 -23.64 66.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.113 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 9.9 mm-40 -83.96 16.48 2.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.935 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 63.0 m 51.17 54.38 11.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -96.26 121.4 60.51 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.625 0.726 . . . . 0.0 111.095 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.71 128.83 16.64 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.7 2.267 . . . . 0.0 112.372 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 101.17 -51.28 0.96 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.464 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.441 HG11 ' HB2' ' A' ' 98' ' ' LYS . 40.3 t -47.23 -72.19 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.867 0.365 . . . . 0.0 111.118 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 6.0 p -49.92 -34.01 9.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.101 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.479 ' OE1' HD12 ' A' ' 111' ' ' LEU . 2.3 tp10 -56.41 -44.35 80.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.912 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 34.7 mt -57.54 -19.35 24.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 2.1 t -94.94 -18.62 6.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.172 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.479 HD12 ' OE1' ' A' ' 108' ' ' GLU . 90.5 mt -80.49 -29.65 37.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.532 ' N ' ' HD2' ' A' ' 113' ' ' PRO . 3.8 mt -62.72 -57.99 19.08 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.628 0.728 . . . . 0.0 111.145 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.532 ' HD2' ' N ' ' A' ' 112' ' ' ILE . 54.0 Cg_endo -69.81 -35.43 12.51 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.661 2.241 . . . . 0.0 112.343 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 13.5 tp -50.43 -60.35 3.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.919 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.421 ' HG3' ' N ' ' A' ' 116' ' ' GLN . 46.6 ptt85 -55.19 -41.6 72.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.421 ' N ' ' HG3' ' A' ' 115' ' ' ARG . 40.0 mt-30 -53.8 -34.59 59.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.922 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -76.03 -40.38 53.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.839 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.457 ' HB3' ' CD2' ' A' ' 53' ' ' TYR . 68.5 mt -66.27 -34.36 77.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -66.47 -27.82 68.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -93.65 -17.2 23.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.845 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 4.9 mmm180 -85.28 -37.64 19.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.875 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.432 ' O ' ' C ' ' A' ' 123' ' ' ARG . 4.9 pt20 -40.58 -32.73 0.22 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 122' ' ' GLN . 14.0 ptt180 -35.61 -41.39 0.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 12.1 mmm-85 -65.67 100.52 0.53 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.863 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 31.1 mmt180 -85.73 112.29 20.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 21.0 mmtp -123.16 161.93 23.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.881 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.941 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.438 -0.265 . . . . 0.0 112.438 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.7 t -72.39 158.56 35.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.882 0.372 . . . . 0.0 110.876 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.5 p -170.84 127.95 0.75 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.844 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.03 175.91 41.49 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.518 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.2 t -115.92 152.88 32.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.844 0.354 . . . . 0.0 110.841 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.9 m -157.98 120.85 3.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.845 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.45 68.45 0.45 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.515 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.6 ttt -134.15 142.69 47.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.817 0.341 . . . . 0.0 110.883 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.32 93.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.092 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 58.1 m -157.63 172.96 17.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 53.0 p -52.79 170.04 0.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 85.0 t -45.92 132.03 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.108 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -91.51 157.76 16.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.842 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -55.65 -35.86 66.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.444 ' HG3' ' N ' ' A' ' 16' ' ' ALA . 12.1 pt-20 -59.99 -43.23 95.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.444 ' N ' ' HG3' ' A' ' 15' ' ' GLU . . . -55.02 -46.34 75.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.103 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.563 HD22 ' OE1' ' A' ' 108' ' ' GLU . 59.5 mt -52.04 -47.85 64.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 41.3 t-80 -50.15 -49.79 51.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 71.3 mm-40 -48.95 -34.15 12.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.0 tp -76.74 -28.27 55.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -72.64 -24.35 61.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.955 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 34.5 mt -80.9 -49.25 11.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.937 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.476 ' CH2' HG11 ' A' ' 49' ' ' VAL . 12.7 t90 -42.47 -34.89 0.91 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.952 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 74.4 t -67.25 -43.54 88.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.133 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -52.62 -51.22 60.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 31.3 t30 -43.71 -51.83 6.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.516 HG23 ' HD2' ' A' ' 28' ' ' PRO . 65.7 mt -68.52 134.89 90.66 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.573 0.701 . . . . 0.0 111.173 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.516 ' HD2' HG23 ' A' ' 27' ' ' ILE . 53.9 Cg_endo -69.75 102.72 1.06 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.729 2.286 . . . . 0.0 112.335 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.43 HD11 HG22 ' A' ' 49' ' ' VAL . 22.3 mt -130.57 66.88 1.5 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.469 ' O ' ' C ' ' A' ' 31' ' ' ARG . 4.1 t -37.96 -56.69 1.11 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.844 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.469 ' C ' ' O ' ' A' ' 30' ' ' SER . 0.8 OUTLIER -32.78 96.14 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.551 0.691 . . . . 0.0 110.893 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.432 ' N ' ' O ' ' A' ' 30' ' ' SER . 53.8 Cg_endo -69.74 174.29 9.7 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.658 2.239 . . . . 0.0 112.32 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.46 ' HD3' ' N ' ' A' ' 33' ' ' LYS . 0.9 OUTLIER -166.62 142.04 4.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 179.904 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 20.5 ttt85 -57.4 -44.41 84.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.839 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.46 ' HB3' ' CB ' ' A' ' 38' ' ' ARG . 4.2 t-20 -131.84 176.62 8.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -86.87 -54.68 4.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.941 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.2 t -73.16 -35.92 66.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.46 ' CB ' ' HB3' ' A' ' 35' ' ' ASN . 17.9 ttt85 -46.26 -39.58 10.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.912 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 40' ' ' PHE . 0.5 OUTLIER -93.78 -63.86 1.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 179.948 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.441 ' O ' ' C ' ' A' ' 41' ' ' SER . 8.2 m-85 -37.72 -41.14 0.47 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.46 ' CB ' ' SG ' ' A' ' 102' ' ' CYS . 77.9 p -34.76 -45.66 0.26 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.866 -179.814 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -79.81 154.69 28.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -84.61 38.17 2.92 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.503 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 58.9 t -115.14 -41.81 3.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.892 0.377 . . . . 0.0 111.143 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.403 ' O ' HD13 ' A' ' 45' ' ' LEU . 0.1 OUTLIER -69.2 -47.65 64.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.923 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 57.5 t -50.57 -52.56 15.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.139 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -38.97 -58.16 1.15 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.073 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -42.02 -51.26 4.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.476 HG11 ' CH2' ' A' ' 23' ' ' TRP . 97.6 t -46.65 -38.96 3.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.142 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.498 HG12 HD11 ' A' ' 118' ' ' LEU . 16.5 mt -77.04 -44.05 31.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 50' ' ' ILE . 11.2 tptm -36.54 -40.81 0.27 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 27.9 t80 -52.78 -55.55 22.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -75.22 -48.06 25.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.412 ' HA ' ' HD2' ' A' ' 55' ' ' PRO . 46.3 m-85 -129.91 95.23 29.24 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.603 0.716 . . . . 0.0 110.829 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 54' ' ' PHE . 53.8 Cg_endo -69.72 -33.04 17.54 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.668 2.245 . . . . 0.0 112.361 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.9 mmmt -71.57 -50.92 26.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 25.3 mmm -43.99 -42.19 5.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.899 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 58.1 t -80.7 123.94 37.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.128 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.9 mp0 -114.32 85.78 2.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.402 ' O ' ' N ' ' A' ' 62' ' ' ASN . 6.1 mmt -61.38 -46.37 90.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.848 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 35.0 t60 -38.76 -31.14 0.05 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.851 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.402 ' N ' ' O ' ' A' ' 60' ' ' MET . 35.4 m-20 -91.43 -46.46 7.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -79.75 129.61 34.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.96 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.664 HG13 ' HD2' ' A' ' 65' ' ' PRO . 90.8 t -135.11 138.79 30.08 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.622 0.725 . . . . 0.0 111.115 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.664 ' HD2' HG13 ' A' ' 64' ' ' VAL . 53.9 Cg_endo -69.77 104.19 1.28 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.697 2.265 . . . . 0.0 112.345 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -97.72 169.45 9.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.123 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -121.65 45.77 2.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.878 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 90.9 p -157.15 120.57 4.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.435 ' O ' ' C ' ' A' ' 70' ' ' GLN . 0.7 OUTLIER -39.33 -60.93 0.85 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.91 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 69' ' ' LEU . 9.9 mm100 -35.44 -47.73 0.45 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.412 ' O ' ' C ' ' A' ' 72' ' ' LYS . 8.1 tm0? -65.62 -49.97 66.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 71' ' ' GLN . 5.7 mmpt? -36.89 -66.59 0.22 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 56.6 mt -48.69 -50.76 31.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.9 t -40.8 -46.05 2.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 35.8 m-20 -68.12 -55.3 12.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.523 ' CZ2' HG21 ' A' ' 99' ' ' ILE . 44.0 m95 -42.12 -49.22 4.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.931 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -48.64 -44.45 29.84 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.508 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 12.2 m170 -67.55 -33.62 75.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.86 0.362 . . . . 0.0 110.918 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 5.3 tp -72.99 -10.11 59.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.911 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.619 ' HA ' HD12 ' A' ' 84' ' ' LEU . 0.1 OUTLIER -88.2 -28.86 20.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 179.891 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 70.2 mtt180 -109.37 0.02 19.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 30.0 mmtt -110.65 -36.31 5.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.578 HG12 HD12 ' A' ' 87' ' ' LEU . 85.3 t -110.71 -69.95 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.138 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.619 HD12 ' HA ' ' A' ' 80' ' ' ASN . 82.8 mt -41.59 -61.7 1.02 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 14.7 tptp -41.91 -50.55 4.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -62.57 -31.33 72.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.87 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.578 HD12 HG12 ' A' ' 83' ' ' VAL . 13.1 mt -96.44 29.18 2.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 42.33 34.12 0.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -109.22 140.89 42.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 53.3 m -132.57 132.3 42.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 10.5 t -129.83 131.22 23.38 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.672 0.748 . . . . 0.0 111.094 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.483 ' HG2' ' CG2' ' A' ' 95' ' ' VAL . 53.9 Cg_endo -69.7 148.01 64.48 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.669 2.246 . . . . 0.0 112.381 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -61.49 -34.06 74.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.834 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -58.66 -37.14 75.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.825 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.483 ' CG2' ' HG2' ' A' ' 92' ' ' PRO . 18.6 t -72.72 -42.91 61.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.141 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 5.4 mtm -58.04 -45.75 86.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 26.7 mtt-85 -47.73 -41.0 21.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.694 ' HB2' HG11 ' A' ' 106' ' ' VAL . 22.7 mtpt -72.71 -45.77 57.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.948 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.536 HG13 HG12 ' A' ' 106' ' ' VAL . 60.7 mt -51.58 -46.22 36.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.124 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.74 -22.91 65.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.094 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -81.46 1.2 34.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' CYS . . . . . 0.46 ' SG ' ' CB ' ' A' ' 41' ' ' SER . 12.7 m 61.76 48.54 5.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -87.76 139.25 31.2 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.594 0.711 . . . . 0.0 111.124 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 124.05 10.68 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.645 2.23 . . . . 0.0 112.348 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.427 ' O ' ' C ' ' A' ' 106' ' ' VAL . . . 100.76 -60.47 0.64 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.478 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.694 HG11 ' HB2' ' A' ' 98' ' ' LYS . 44.1 t -33.72 -73.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.896 0.379 . . . . 0.0 111.118 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.59 HG13 ' N ' ' A' ' 108' ' ' GLU . 10.8 p -44.7 -49.75 2.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.161 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.59 ' N ' HG13 ' A' ' 107' ' ' VAL . 26.7 mt-10 -52.53 -45.96 66.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.919 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 18.6 mt -53.64 -16.95 1.82 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 82.5 t -105.57 -19.64 6.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.102 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 46.9 mt -82.7 -40.72 20.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.53 ' N ' ' HD2' ' A' ' 113' ' ' PRO . 3.8 mt -50.14 -57.95 11.14 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.639 0.733 . . . . 0.0 111.166 179.806 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.53 ' HD2' ' N ' ' A' ' 112' ' ' ILE . 54.1 Cg_endo -69.73 -22.44 32.21 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.724 2.282 . . . . 0.0 112.353 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 22.3 tp -55.69 -60.47 3.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.46 ' HD2' ' N ' ' A' ' 116' ' ' GLN . 6.1 ppt_? -59.3 -39.95 84.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.46 ' N ' ' HD2' ' A' ' 115' ' ' ARG . 10.9 mt-30 -51.58 -18.95 1.29 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.947 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 23.2 mmm180 -96.9 -49.59 4.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.901 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.498 HD11 HG12 ' A' ' 50' ' ' ILE . 66.9 mt -59.19 -40.68 86.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -68.97 -22.48 64.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.498 ' N ' ' OE1' ' A' ' 120' ' ' GLU . 0.0 OUTLIER -83.29 -40.84 19.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.858 -179.914 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 20.9 mtp85 -72.55 -44.35 62.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -40.52 -53.22 2.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -78.29 -42.98 29.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.903 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 20.1 mtt-85 -63.14 120.47 11.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 24.4 mmt180 -98.56 -28.41 13.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 1.2 mppt? -94.2 131.77 39.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 179.972 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.5 p -107.37 160.93 15.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.925 0.393 . . . . 0.0 110.832 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 m -159.22 165.25 34.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.877 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.86 116.05 0.35 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.472 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 m -77.4 -51.26 11.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.876 0.369 . . . . 0.0 110.853 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.0 m -54.71 102.89 0.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.847 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.43 94.57 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.471 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.9 ttt -146.39 121.3 9.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.813 0.34 . . . . 0.0 110.841 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -123.19 173.57 7.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.107 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 58.0 m -76.56 -56.91 4.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.865 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 49.0 m -87.51 175.21 8.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.886 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.638 ' O ' HG12 ' A' ' 12' ' ' VAL . 25.7 t -84.98 36.78 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.086 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -45.98 172.5 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -49.8 -31.59 12.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.884 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -64.4 -45.83 85.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.09 -42.02 97.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.091 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 21.4 mt -63.39 -48.59 77.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.616 ' CE1' HD21 ' A' ' 22' ' ' LEU . 2.3 t-160 -41.46 -59.45 1.58 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.809 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' A' ' 18' ' ' HIS . 57.0 mm-40 -35.27 -41.68 0.17 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.7 tp -73.77 -43.35 59.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.481 ' N ' ' O ' ' A' ' 18' ' ' HIS . 16.5 m-85 -61.94 -53.53 54.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.928 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.616 HD21 ' CE1' ' A' ' 18' ' ' HIS . 70.7 mt -48.08 -52.2 21.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.905 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.525 ' CD2' ' HD2' ' A' ' 115' ' ' ARG . 4.8 t90 -43.35 -56.34 3.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 94.5 t -50.88 -61.01 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.112 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -45.68 -51.42 12.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -45.44 -29.84 1.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.532 ' CD1' HG13 ' A' ' 49' ' ' VAL . 28.0 mt -67.92 137.1 92.24 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.632 0.729 . . . . 0.0 111.084 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.509 ' O ' ' C ' ' A' ' 29' ' ' LEU . 53.9 Cg_endo -69.77 10.99 0.43 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.677 2.251 . . . . 0.0 112.343 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.509 ' C ' ' O ' ' A' ' 28' ' ' PRO . 77.7 mt -29.09 95.5 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 28' ' ' PRO . 84.1 p -71.43 75.14 0.76 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 58.5 mtp85 -153.21 152.94 28.79 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.604 0.716 . . . . 0.0 110.875 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 158.22 57.63 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.655 2.237 . . . . 0.0 112.348 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.437 ' HD3' ' N ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -106.51 123.33 47.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.936 179.908 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 -132.24 -53.75 0.97 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.84 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -164.4 120.21 1.53 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.8 tp -68.32 -58.47 4.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 15.7 t -39.83 -31.43 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.434 ' O ' ' C ' ' A' ' 39' ' ' ASP . 21.3 tpp180 -90.76 -67.91 0.82 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 38' ' ' ARG . 88.1 m-20 -35.26 -42.17 0.19 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -80.23 -44.41 19.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.8 m -52.28 -36.0 51.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.842 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.908 ' OD1' HG23 ' A' ' 44' ' ' VAL . 5.1 t0 -67.93 -38.72 83.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.829 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 100.86 -42.05 2.02 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.516 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.908 HG23 ' OD1' ' A' ' 42' ' ' ASP . 90.9 t -44.7 -37.18 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.857 0.36 . . . . 0.0 111.112 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.5 HD13 ' O ' ' A' ' 45' ' ' LEU . 0.3 OUTLIER -71.55 -45.75 61.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.968 179.939 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 93.2 t -45.29 -41.62 2.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.113 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.522 ' HA ' HD12 ' A' ' 50' ' ' ILE . . . -55.38 -52.93 61.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.058 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -46.54 -39.59 11.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.883 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.532 HG13 ' CD1' ' A' ' 27' ' ' ILE . 62.5 t -60.15 -38.29 76.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.137 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.522 HD12 ' HA ' ' A' ' 47' ' ' ALA . 23.6 mt -66.72 -29.75 47.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.112 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.431 ' HA ' ' CG2' ' A' ' 58' ' ' VAL . 19.1 tptm -50.52 -40.34 51.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -59.04 -27.13 65.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.87 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.558 ' CD2' ' HB3' ' A' ' 118' ' ' LEU . 66.3 m-85 -96.46 -67.21 0.86 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.963 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -133.33 129.51 20.76 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.648 0.737 . . . . 0.0 110.831 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -51.06 0.41 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.718 2.279 . . . . 0.0 112.345 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.8 ptmt -57.1 -27.98 62.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 74.7 mmm -72.17 -32.55 66.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.431 ' CG2' ' HA ' ' A' ' 51' ' ' LYS . 85.1 t -55.05 -68.88 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.124 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 61.05 52.74 3.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 11.5 mmt -89.38 48.37 1.6 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.859 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 40.6 t-80 -120.46 -49.55 2.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.828 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.496 ' OD1' ' N ' ' A' ' 63' ' ' TYR . 7.3 p30 -68.23 -51.42 45.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.496 ' N ' ' OD1' ' A' ' 62' ' ' ASN . 36.4 m-85 -57.9 154.6 11.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.601 HG13 ' HD2' ' A' ' 65' ' ' PRO . 84.7 t -145.55 136.96 12.75 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.638 0.732 . . . . 0.0 111.144 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.601 ' HD2' HG13 ' A' ' 64' ' ' VAL . 54.1 Cg_endo -69.75 114.2 3.62 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.714 2.276 . . . . 0.0 112.333 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -120.77 154.15 36.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.101 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -105.45 37.51 2.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 68.8 p -132.43 129.59 39.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.827 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.503 ' O ' HD13 ' A' ' 69' ' ' LEU . 0.7 OUTLIER -49.48 -57.34 7.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.943 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -38.69 -55.57 1.44 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.427 ' O ' ' C ' ' A' ' 72' ' ' LYS . 33.1 tp60 -58.17 -52.38 65.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.892 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 71' ' ' GLN . 13.1 mmtp -36.03 -56.12 0.74 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.88 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 15.8 mt -60.32 -43.17 96.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.924 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.9 t -47.47 -60.47 2.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 11.3 m-20 -45.24 -56.18 5.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.86 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.519 ' CZ2' HG21 ' A' ' 99' ' ' ILE . 40.7 m95 -47.02 -59.45 3.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.93 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -40.4 -41.13 2.15 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.515 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 34.6 m-70 -73.88 -47.02 41.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.801 0.334 . . . . 0.0 110.838 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.3 tp -58.96 -11.39 3.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.944 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.527 ' HA ' HD12 ' A' ' 84' ' ' LEU . 52.8 t-20 -84.35 -35.87 22.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 87.8 mtm180 -107.92 0.67 22.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -109.73 -29.74 8.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.935 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 53.8 t -116.75 -74.38 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.14 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.527 HD12 ' HA ' ' A' ' 80' ' ' ASN . 77.5 mt -38.97 -51.32 1.79 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 84' ' ' LEU . 28.6 tttm -36.76 -49.97 0.81 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.933 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 23.4 mmt180 -56.05 -40.0 72.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.481 ' N ' ' O ' ' A' ' 84' ' ' LEU . 17.6 mt -85.47 27.47 0.82 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 38.6 t30 41.01 30.49 0.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.937 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -103.79 136.51 43.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.921 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 79.2 p -128.75 145.27 51.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.579 HG13 ' HD2' ' A' ' 92' ' ' PRO . 91.2 t -142.14 136.4 14.94 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.642 0.734 . . . . 0.0 111.104 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.579 ' HD2' HG13 ' A' ' 91' ' ' VAL . 53.3 Cg_endo -69.82 155.78 64.85 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.63 2.22 . . . . 0.0 112.321 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -62.17 -20.03 63.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.897 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -71.07 -43.76 67.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.535 HG23 ' HG2' ' A' ' 92' ' ' PRO . 26.0 t -64.75 -28.79 45.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.115 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 10.3 mtm -73.23 -51.03 19.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 88.4 mtt180 -45.97 -40.2 10.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.802 ' CB ' HG11 ' A' ' 106' ' ' VAL . 72.6 mttt -64.49 -56.26 15.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.519 HG21 ' CZ2' ' A' ' 76' ' ' TRP . 77.8 mt -48.59 -56.73 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.154 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -59.63 -19.41 49.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 32.3 mm-40 -90.75 24.86 2.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 79.9 m 41.52 39.47 1.09 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -82.13 126.6 74.24 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.531 0.681 . . . . 0.0 111.159 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 134.46 28.03 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.672 2.248 . . . . 0.0 112.314 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 73.33 44.33 34.82 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.5 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.802 HG11 ' CB ' ' A' ' 98' ' ' LYS . 46.1 t -134.04 -59.24 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.822 0.344 . . . . 0.0 111.087 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.44 ' HB ' HG23 ' A' ' 99' ' ' ILE . 10.1 p -61.97 -37.81 79.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.134 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.403 ' HA ' HD12 ' A' ' 111' ' ' LEU . 55.9 mp0 -58.18 -38.41 76.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 19.6 mt -57.45 -19.23 22.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 46.3 t -104.35 -16.0 7.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.121 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.403 HD12 ' HA ' ' A' ' 108' ' ' GLU . 72.6 mt -84.63 -31.77 24.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.939 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.544 ' N ' ' HD2' ' A' ' 113' ' ' PRO . 4.7 mt -59.38 -57.44 26.97 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.6 0.714 . . . . 0.0 111.074 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.544 ' HD2' ' N ' ' A' ' 112' ' ' ILE . 53.6 Cg_endo -69.73 -26.58 27.58 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.652 2.235 . . . . 0.0 112.342 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 6.8 tp -63.97 -56.13 17.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.94 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.525 ' HD2' ' CD2' ' A' ' 23' ' ' TRP . 44.9 ttt-85 -56.86 -43.69 81.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.839 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 -51.63 -43.59 62.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 60.3 mmt-85 -69.9 -45.64 67.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.558 ' HB3' ' CD2' ' A' ' 53' ' ' TYR . 25.3 mt -52.16 -50.67 61.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -57.4 -38.06 73.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -59.82 -49.86 76.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.84 -41.46 82.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -38.4 -55.26 1.39 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 6.1 ptp180 -119.18 153.36 35.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 12.9 mmm-85 -128.69 159.6 35.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 20.2 ttm180 -137.28 158.13 45.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.837 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 60.8 mttm 57.4 41.7 25.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.944 179.959 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.542 -0.223 . . . . 0.0 112.542 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.2 m -44.93 134.87 5.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.895 0.379 . . . . 0.0 110.827 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.1 t -101.07 -53.55 3.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.834 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.53 104.76 0.18 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.494 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.0 p -143.82 135.02 25.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.835 0.35 . . . . 0.0 110.877 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -173.98 126.45 0.37 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 59.05 54.37 38.56 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.517 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 20.4 mtp -138.75 148.27 43.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.827 0.346 . . . . 0.0 110.838 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.36 147.93 43.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.106 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.2 m -53.66 143.98 18.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.6 t -115.11 161.59 18.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.863 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.577 ' O ' HG12 ' A' ' 12' ' ' VAL . 16.6 t 61.85 36.0 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.189 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -51.71 175.38 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -43.39 -46.17 6.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.879 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -45.36 -43.13 10.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -48.06 -49.27 32.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.092 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.547 HD22 ' CD ' ' A' ' 108' ' ' GLU . 46.9 mt -43.72 -49.47 7.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -46.7 -53.57 11.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 74.3 mm-40 -45.29 -42.38 9.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.456 HD11 ' HB3' ' A' ' 111' ' ' LEU . 5.4 tp -67.07 -30.52 70.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -71.12 -21.57 62.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 63.5 mt -80.33 -46.14 16.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.924 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 3.8 t90 -45.67 -60.91 1.94 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.602 HG13 HD12 ' A' ' 29' ' ' LEU . 74.2 t -46.55 -42.5 5.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.144 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -43.38 -46.28 6.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 23.1 t30 -53.27 -52.89 57.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 27.5 mt -74.61 124.76 89.94 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.604 0.716 . . . . 0.0 111.149 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 93.04 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.704 2.27 . . . . 0.0 112.283 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.602 HD12 HG13 ' A' ' 24' ' ' VAL . 13.2 mt -104.33 77.94 1.45 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 31' ' ' ARG . 29.7 t -81.74 -36.19 28.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.496 ' N ' ' HD2' ' A' ' 32' ' ' PRO . 11.6 ttm-85 -36.05 -59.76 0.76 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.594 0.711 . . . . 0.0 110.878 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.499 ' O ' ' C ' ' A' ' 33' ' ' LYS . 54.0 Cg_endo -69.78 -30.09 22.75 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.66 2.24 . . . . 0.0 112.372 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.499 ' C ' ' O ' ' A' ' 32' ' ' PRO . 0.0 OUTLIER 30.4 39.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.89 179.914 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.491 ' N ' ' O ' ' A' ' 32' ' ' PRO . 1.1 tpt180 -153.32 165.2 36.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.897 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.464 ' C ' ' O ' ' A' ' 34' ' ' ARG . 25.7 m120 -32.94 141.16 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.796 HD12 ' H ' ' A' ' 36' ' ' LEU . 2.7 mp -68.25 -49.1 62.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 20.9 t -49.31 -63.24 1.16 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.829 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.411 ' O ' ' CB ' ' A' ' 41' ' ' SER . 64.5 mtt180 -50.55 -68.42 0.17 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.834 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.498 ' O ' ' N ' ' A' ' 41' ' ' SER . 57.2 m-20 -42.91 -61.03 1.39 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.827 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.468 ' CE2' ' HB3' ' A' ' 36' ' ' LEU . 3.3 m-85 -35.24 -31.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' ' 39' ' ' ASP . 30.0 t -42.73 -48.01 5.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.81 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.53 132.91 38.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.869 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -72.89 -36.31 57.64 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.493 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 47.5 t -46.54 -42.44 5.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.844 0.354 . . . . 0.0 111.117 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.592 HD11 HD22 ' A' ' 29' ' ' LEU . 32.4 tp -64.5 -56.1 16.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.931 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 58.2 t -39.35 -41.11 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.15 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -49.38 -44.9 45.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.108 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -58.04 -38.15 75.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 95.5 t -55.99 -32.8 34.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.116 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 34.3 mt -75.47 -34.68 30.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.094 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 17.2 tptp -43.78 -45.35 7.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -53.58 -40.53 65.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.58 ' CD1' HD13 ' A' ' 118' ' ' LEU . 83.5 m-85 -81.68 -62.25 1.7 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.883 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.406 ' CZ ' ' HB3' ' A' ' 121' ' ' ARG . 27.9 m-85 -133.12 122.54 17.39 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.638 0.733 . . . . 0.0 110.847 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -50.96 0.42 Allowed 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.695 2.263 . . . . 0.0 112.327 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 57' ' ' MET . 29.6 mttm -53.88 -56.6 16.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.925 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.408 ' C ' ' O ' ' A' ' 56' ' ' LYS . 33.5 mmm -36.74 -36.85 0.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 43.6 t -81.47 132.37 31.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.108 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -133.24 99.39 4.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 8.5 mmt -95.18 55.6 1.8 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 8.7 m80 -128.68 -30.5 2.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.566 ' ND2' ' CD1' ' A' ' 63' ' ' TYR . 4.4 p-10 -94.49 -57.75 2.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.566 ' CD1' ' ND2' ' A' ' 62' ' ' ASN . 24.5 m-85 -56.26 155.28 6.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.932 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.647 HG13 ' HD2' ' A' ' 65' ' ' PRO . 87.2 t -148.66 138.7 12.93 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.591 0.71 . . . . 0.0 111.164 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.647 ' HD2' HG13 ' A' ' 64' ' ' VAL . 53.6 Cg_endo -69.79 108.61 2.12 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.693 2.262 . . . . 0.0 112.338 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.528 ' HB3' ' HB3' ' A' ' 71' ' ' GLN . . . -125.14 161.77 26.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.083 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -118.19 25.07 10.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.85 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.1 t -118.17 130.46 56.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -39.98 -54.8 2.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.955 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -44.37 -59.29 2.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.528 ' HB3' ' HB3' ' A' ' 66' ' ' ALA . 6.2 mm-40 -57.86 -47.93 81.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.9 mmpt? -42.73 -65.63 0.45 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.66 HD11 ' HD2' ' A' ' 97' ' ' ARG . 15.2 mt -60.5 -44.88 95.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.944 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.5 t -40.45 -48.2 2.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 50.1 m-20 -63.81 -53.47 50.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.869 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.546 ' CZ2' HG21 ' A' ' 99' ' ' ILE . 60.9 m95 -46.46 -51.95 14.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.952 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -52.27 -39.79 51.73 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.48 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -70.73 -42.12 70.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.848 0.356 . . . . 0.0 110.892 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.8 tp -63.74 -22.98 67.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.639 ' HA ' HD12 ' A' ' 84' ' ' LEU . 37.0 t-20 -74.11 -30.71 62.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 81.2 mtt180 -105.87 3.42 28.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.913 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.9 mmmp? -118.07 -29.34 5.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.421 ' O ' ' C ' ' A' ' 84' ' ' LEU . 87.3 t -117.86 -74.68 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.141 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.639 HD12 ' HA ' ' A' ' 80' ' ' ASN . 83.2 mt -36.28 -60.73 0.55 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.963 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 84' ' ' LEU . 0.0 OUTLIER -35.88 -56.69 0.7 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.842 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 13.5 mmm180 -54.05 -40.29 67.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.897 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.462 ' N ' ' O ' ' A' ' 84' ' ' LEU . 16.1 mt -86.48 29.58 0.77 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.944 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 8.6 m120 40.18 37.52 0.42 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -111.86 142.08 44.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.848 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 89.7 p -142.02 148.11 37.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.826 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.676 HG13 ' HD2' ' A' ' 92' ' ' PRO . 93.0 t -151.37 138.82 12.31 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.618 0.723 . . . . 0.0 111.106 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.676 ' HD2' HG13 ' A' ' 91' ' ' VAL . 53.9 Cg_endo -69.8 166.03 29.03 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.697 2.265 . . . . 0.0 112.358 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.18 -48.69 67.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -43.03 -42.74 3.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.586 HG23 ' HG2' ' A' ' 92' ' ' PRO . 71.4 t -70.03 -40.62 78.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.162 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.533 ' HA ' HD12 ' A' ' 99' ' ' ILE . 5.5 mtm -60.95 -53.7 54.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.841 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.66 ' HD2' HD11 ' A' ' 73' ' ' LEU . 22.7 mmm-85 -42.96 -52.35 5.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.84 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 34.0 mttm -54.47 -45.46 73.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.546 HG21 ' CZ2' ' A' ' 76' ' ' TRP . 87.8 mt -54.29 -55.6 13.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -61.47 -14.44 28.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.105 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 22.5 mm-40 -95.73 11.28 34.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.936 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 51.3 m 57.32 54.2 6.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.515 ' CB ' HG21 ' A' ' 106' ' ' VAL . . . -90.2 125.21 60.99 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.59 0.71 . . . . 0.0 111.115 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 132.8 24.02 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.716 2.277 . . . . 0.0 112.359 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 82.81 -13.52 42.48 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.497 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.515 HG21 ' CB ' ' A' ' 103' ' ' ALA . 89.0 t -79.58 -72.63 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.901 0.382 . . . . 0.0 111.131 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 3.5 p -49.55 -38.07 12.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.114 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.547 ' CD ' HD22 ' A' ' 17' ' ' LEU . 41.4 mt-10 -56.57 -45.51 81.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.459 HD12 ' HA ' ' A' ' 106' ' ' VAL . 12.1 mt -48.67 -24.41 1.36 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.933 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 11.3 t -96.8 -23.58 4.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.144 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.456 ' HB3' HD11 ' A' ' 20' ' ' LEU . 93.2 mt -78.72 -42.79 27.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.523 ' N ' ' HD2' ' A' ' 113' ' ' PRO . 2.9 mt -42.92 -58.36 4.02 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.597 0.713 . . . . 0.0 111.12 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.523 ' HD2' ' N ' ' A' ' 112' ' ' ILE . 53.6 Cg_endo -69.75 -35.93 11.75 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.644 2.229 . . . . 0.0 112.358 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 6.2 tp -41.38 -63.63 0.67 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.416 ' C ' ' HD3' ' A' ' 115' ' ' ARG . 0.0 OUTLIER -53.64 -45.35 70.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 179.926 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -55.01 -35.42 64.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 11.7 mmp_? -75.31 -52.07 11.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.884 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.58 HD13 ' CD1' ' A' ' 53' ' ' TYR . 60.8 mt -49.79 -36.86 27.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.952 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -56.53 -52.68 63.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -60.89 -46.11 91.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.439 ' HG3' ' CD2' ' A' ' 87' ' ' LEU . 10.8 mmm180 -52.69 -39.97 62.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -63.36 -74.65 0.09 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.915 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 -129.05 157.49 41.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 56.5 mtm-85 -134.96 157.1 47.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.824 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 14.1 mmm180 -69.87 130.93 43.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.832 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 21.5 tptt -153.63 128.23 9.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.955 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.0 m 54.94 41.75 31.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.933 0.397 . . . . 0.0 110.907 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.6 p -128.42 141.65 51.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.873 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.21 118.28 4.21 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.475 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.9 p -147.09 139.55 24.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.868 0.366 . . . . 0.0 110.896 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.0 t -169.88 161.72 9.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 124.63 154.36 8.82 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.499 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.3 ptm -49.98 155.86 0.85 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.784 0.326 . . . . 0.0 110.901 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -50.52 139.89 15.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.071 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 9.4 t -166.44 -178.76 4.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.8 t -39.8 160.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.868 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 88.2 t -40.95 135.14 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.083 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -123.64 171.03 9.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -49.66 -46.95 50.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -48.61 -44.54 37.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.04 -37.83 86.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.125 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 42.8 mt -60.13 -34.78 74.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.541 ' CE1' HD21 ' A' ' 22' ' ' LEU . 4.7 t-160 -64.61 -56.67 12.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.857 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 47.3 mm-40 -42.27 -42.0 2.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.875 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.1 tp -69.68 -39.43 76.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.924 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.644 ' CE1' HD13 ' A' ' 36' ' ' LEU . 17.8 m-85 -65.77 -51.16 61.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.935 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.541 HD21 ' CE1' ' A' ' 18' ' ' HIS . 10.2 mt -53.98 -51.95 62.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.876 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.571 ' CZ2' ' HB3' ' A' ' 115' ' ' ARG . 4.3 t90 -40.17 -45.26 1.99 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.519 HG23 ' CE3' ' A' ' 23' ' ' TRP . 58.1 t -79.45 -50.13 18.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.103 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 52.2 m-20 -41.95 -42.05 2.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -61.9 -48.27 81.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 90.5 mt -64.46 126.21 90.13 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.646 0.736 . . . . 0.0 111.111 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 100.88 0.85 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.662 2.242 . . . . 0.0 112.331 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.426 HD13 HD11 ' A' ' 45' ' ' LEU . 28.4 mt -111.29 106.3 15.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.9 m -56.97 87.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.838 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.9 mtp85 -163.62 157.5 16.58 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.646 0.736 . . . . 0.0 110.846 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 179.1 3.92 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.666 2.244 . . . . 0.0 112.347 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.66 53.1 0.93 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.433 ' O ' ' C ' ' A' ' 35' ' ' ASN . 6.7 tpt85 -90.34 155.63 18.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.885 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.433 ' C ' ' O ' ' A' ' 34' ' ' ARG . 11.9 m120 -34.13 139.99 0.07 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.644 HD13 ' CE1' ' A' ' 21' ' ' TYR . 13.7 mt -72.6 -14.81 61.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 48.3 t -68.38 -44.85 74.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 44.5 ttt85 -90.96 -46.51 8.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.862 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 37.5 t0 -44.33 -43.16 7.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -85.77 -33.59 21.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.862 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.7 t -41.48 -33.7 0.46 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.866 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -83.84 123.09 29.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.893 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.83 -21.64 75.19 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.505 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.519 HG21 ' HA ' ' A' ' 65' ' ' PRO . 24.5 t -54.32 -18.19 2.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.841 0.353 . . . . 0.0 111.14 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.426 HD11 HD13 ' A' ' 29' ' ' LEU . 22.7 tp -99.65 -48.26 4.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.936 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 78.3 t -45.41 -37.85 2.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.161 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.62 -44.65 95.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.097 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -51.54 -50.23 60.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 90.0 t -45.4 -45.79 3.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.13 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 56.5 mt -60.92 -35.64 66.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.141 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 7.7 tptm -45.81 -55.87 6.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.94 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -45.43 -47.13 13.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -74.88 -67.29 0.66 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.94 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -124.62 105.68 30.1 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.65 0.738 . . . . 0.0 110.894 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -47.83 0.84 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.697 2.265 . . . . 0.0 112.325 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 42.4 mtpt -55.64 -44.51 77.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 64.5 mmm -55.92 -38.18 69.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.909 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 56.0 t -72.45 124.8 29.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.13 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -130.79 48.41 2.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.406 ' O ' ' N ' ' A' ' 62' ' ' ASN . 17.0 mtp -55.61 -19.19 9.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -43.25 -23.94 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.406 ' N ' ' O ' ' A' ' 60' ' ' MET . 67.3 m-20 -98.27 -40.42 8.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.863 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -72.41 141.92 48.68 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.933 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.637 HG13 ' HD2' ' A' ' 65' ' ' PRO . 98.0 t -140.99 138.37 17.94 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.643 0.735 . . . . 0.0 111.152 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.637 ' HD2' HG13 ' A' ' 64' ' ' VAL . 53.8 Cg_endo -69.73 110.57 2.58 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.645 2.23 . . . . 0.0 112.374 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -118.79 124.86 48.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.085 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -55.03 -32.22 61.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 50.7 m -63.1 139.97 58.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.53 ' O ' HD13 ' A' ' 69' ' ' LEU . 1.0 OUTLIER -69.55 -57.64 4.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.93 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.441 ' C ' ' O ' ' A' ' 69' ' ' LEU . 78.2 mt-30 -34.58 -45.26 0.23 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 22.0 tp60 -57.98 -54.11 50.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.957 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.4 mmpt? -41.67 -60.36 1.37 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.894 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.56 HD21 ' HA ' ' A' ' 97' ' ' ARG . 14.6 mt -52.62 -48.66 66.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.896 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 4.2 t -53.45 -41.38 66.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.845 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -66.66 -56.31 11.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.526 ' CZ2' HG21 ' A' ' 99' ' ' ILE . 40.0 m95 -45.0 -51.27 10.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.914 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -49.56 -39.69 30.64 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.47 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 40.2 m170 -69.77 -44.59 69.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.821 0.343 . . . . 0.0 110.824 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.7 tp -59.66 -16.53 27.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.789 ' HA ' HD12 ' A' ' 84' ' ' LEU . 54.0 t-20 -79.61 -37.88 35.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 30.9 mtm180 -102.84 4.76 38.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 30.0 mmtt -116.65 -34.62 4.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 96.4 t -112.06 -74.73 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.789 HD12 ' HA ' ' A' ' 80' ' ' ASN . 24.3 mt -43.03 -42.75 3.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 6.3 tmtm? -44.43 -46.9 9.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.929 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 -74.71 -20.19 59.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.422 ' N ' ' O ' ' A' ' 84' ' ' LEU . 65.2 mt -96.27 20.32 10.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 44.25 31.28 0.54 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -111.75 131.25 55.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.838 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 82.8 p -121.07 150.71 40.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 13.4 t -152.15 130.24 6.1 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.594 0.711 . . . . 0.0 111.157 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 176.47 6.72 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.722 2.281 . . . . 0.0 112.335 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -79.57 -41.43 27.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.854 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 9.3 p30 -50.0 -34.82 22.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 54.8 t -79.09 -36.44 18.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.157 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.582 ' HA ' HD12 ' A' ' 99' ' ' ILE . 5.5 mtm -67.44 -51.13 55.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.56 ' HA ' HD21 ' A' ' 73' ' ' LEU . 33.7 mtp180 -43.64 -46.44 7.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.56 ' HB2' HG11 ' A' ' 106' ' ' VAL . 68.7 mttt -63.2 -44.76 94.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.582 HD12 ' HA ' ' A' ' 96' ' ' MET . 91.4 mt -52.35 -52.42 25.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.161 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.2 -23.61 64.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.058 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 -81.25 12.46 3.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.949 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 64.0 m 54.0 46.91 24.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -98.32 121.36 57.16 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.561 0.696 . . . . 0.0 111.143 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 151.7 69.24 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.676 2.251 . . . . 0.0 112.343 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 76.21 15.18 81.62 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.506 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.56 HG11 ' HB2' ' A' ' 98' ' ' LYS . 51.0 t -118.87 -65.61 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.883 0.373 . . . . 0.0 111.116 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 1.6 p -56.52 -35.22 43.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.137 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -59.74 -40.31 87.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 79.5 mt -52.64 -20.88 3.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.94 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 85.3 t -100.57 -23.69 4.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.154 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 86.4 mt -72.69 -40.75 65.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.531 ' N ' ' HD2' ' A' ' 113' ' ' PRO . 3.8 mt -53.24 -57.86 14.96 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.614 0.721 . . . . 0.0 111.138 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.531 ' HD2' ' N ' ' A' ' 112' ' ' ILE . 53.4 Cg_endo -69.84 -35.86 11.63 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.65 2.233 . . . . 0.0 112.32 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 5.9 tp -48.07 -61.55 1.92 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.914 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.571 ' HB3' ' CZ2' ' A' ' 23' ' ' TRP . 51.1 ptt85 -55.37 -43.62 75.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.408 ' N ' ' HG3' ' A' ' 115' ' ' ARG . 39.2 mm-40 -53.13 -42.24 65.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.954 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 43.8 mmt-85 -68.1 -55.28 13.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 10.2 mt -50.2 -40.84 48.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -55.18 -52.23 63.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.86 -49.63 74.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -57.04 -36.77 70.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.854 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -42.34 -30.11 0.3 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 9.1 ptt85 -75.95 150.7 37.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -126.4 175.59 7.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 2.0 tpm_? -96.9 137.22 36.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.841 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 12.9 tptm -112.61 152.39 28.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 54.6 tp60 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.92 179.93 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.4 p -82.1 43.29 0.78 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.898 0.38 . . . . 0.0 110.861 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.8 m -157.46 173.84 16.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.82 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 154.1 -42.83 0.61 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.468 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 4' ' ' GLY . 44.0 p -37.22 153.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.875 0.369 . . . . 0.0 110.834 -179.71 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.0 p -169.4 162.62 10.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.5 132.19 10.98 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.476 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 18.5 ttp -128.5 99.53 5.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.784 0.326 . . . . 0.0 110.859 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.433 ' O ' ' C ' ' A' ' 10' ' ' SER . . . -115.53 165.51 12.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.083 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 9' ' ' ALA . 1.4 t -35.4 -46.35 0.38 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.789 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 97.1 p -123.19 135.72 54.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.848 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.476 ' CG1' ' HB3' ' A' ' 16' ' ' ALA . 90.7 t -84.23 134.17 27.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.139 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -89.27 168.52 12.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -56.85 -49.86 74.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -44.5 -39.75 5.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.476 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . . . -52.54 -42.04 64.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.045 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.5 mt -56.27 -47.79 77.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.866 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.583 ' CE1' HD21 ' A' ' 22' ' ' LEU . 2.1 t-160 -41.99 -53.56 3.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.47 ' HA ' HD12 ' A' ' 22' ' ' LEU . 46.4 mm-40 -40.86 -41.23 1.54 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.926 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.696 HD22 ' OE2' ' A' ' 108' ' ' GLU . 7.2 tp -73.72 -35.72 65.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.439 ' N ' ' O ' ' A' ' 18' ' ' HIS . 22.0 m-85 -72.59 -22.67 60.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.583 HD21 ' CE1' ' A' ' 18' ' ' HIS . 10.2 mt -85.75 -41.76 14.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.904 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 4.4 t90 -53.82 -39.63 65.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.898 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.441 ' O ' ' C ' ' A' ' 25' ' ' ASP . 92.8 t -69.62 -52.49 31.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.121 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.441 ' C ' ' O ' ' A' ' 24' ' ' VAL . 2.4 t70 -35.01 -52.3 0.55 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 35.9 t30 -38.32 -53.43 1.49 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.534 ' CD1' HG13 ' A' ' 49' ' ' VAL . 25.8 mt -66.44 129.98 94.16 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.609 0.718 . . . . 0.0 111.156 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 96.15 0.58 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.669 2.246 . . . . 0.0 112.357 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.48 ' O ' ' N ' ' A' ' 31' ' ' ARG . 11.5 mt -127.15 -54.74 1.37 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 19.7 m 39.42 25.75 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.524 ' N ' ' HD2' ' A' ' 32' ' ' PRO . 11.8 ttm-85 -59.41 -58.76 17.07 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.555 0.693 . . . . 0.0 110.888 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.524 ' HD2' ' N ' ' A' ' 31' ' ' ARG . 53.6 Cg_endo -69.79 120.98 7.67 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.648 2.232 . . . . 0.0 112.362 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.483 ' HD2' ' N ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -82.8 -2.32 54.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.483 ' N ' ' HD2' ' A' ' 33' ' ' LYS . 16.3 ttt180 -126.22 -70.34 0.73 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.864 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -143.56 157.5 44.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.576 HD12 ' N ' ' A' ' 37' ' ' SER . 4.1 pp -90.52 -43.99 9.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.576 ' N ' HD12 ' A' ' 36' ' ' LEU . 22.6 t -46.87 -23.41 0.44 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.45 ' HA ' ' NE ' ' A' ' 38' ' ' ARG . 8.4 tpm_? -88.38 -35.56 17.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.43 ' O ' ' C ' ' A' ' 40' ' ' PHE . 8.9 t0 -75.3 -58.39 3.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.45 ' N ' HD23 ' A' ' 45' ' ' LEU . 10.0 m-85 -35.46 -54.68 0.67 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.849 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 40' ' ' PHE . 42.6 t -37.09 -45.23 0.59 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 -179.791 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.546 ' CG ' ' N ' ' A' ' 43' ' ' GLY . 0.3 OUTLIER -43.73 -55.44 4.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 179.927 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.546 ' N ' ' CG ' ' A' ' 42' ' ' ASP . . . 117.59 -39.12 2.72 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.479 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.416 ' N ' ' OD2' ' A' ' 42' ' ' ASP . 22.0 t -62.34 -40.98 89.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.843 0.354 . . . . 0.0 111.13 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.476 HD12 ' O ' ' A' ' 45' ' ' LEU . 4.9 tp -63.91 -43.22 96.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.909 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 95.9 t -50.16 -47.88 24.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.137 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.409 ' O ' HG21 ' A' ' 58' ' ' VAL . . . -50.44 -54.04 25.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.083 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -45.73 -48.52 15.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.861 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.534 HG13 ' CD1' ' A' ' 27' ' ' ILE . 89.9 t -50.2 -54.66 7.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.156 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 92.9 mt -50.37 -44.17 23.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.168 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.468 ' CD ' ' HA ' ' A' ' 55' ' ' PRO . 4.0 tppp? -38.61 -58.42 1.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.411 ' C ' ' O ' ' A' ' 51' ' ' LYS . 27.7 t80 -37.62 -52.62 1.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 58.0 m-85 -73.13 -54.64 7.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.954 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.406 ' HA ' ' HD2' ' A' ' 55' ' ' PRO . 31.7 m-85 -129.96 97.52 23.38 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.635 0.731 . . . . 0.0 110.9 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.468 ' HA ' ' CD ' ' A' ' 51' ' ' LYS . 53.4 Cg_endo -69.7 -22.04 32.92 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.731 2.287 . . . . 0.0 112.344 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.406 ' HG3' ' N ' ' A' ' 57' ' ' MET . 16.0 pttp -78.87 -31.41 45.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.406 ' N ' ' HG3' ' A' ' 56' ' ' LYS . 21.2 mmm -64.28 -49.54 71.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.409 HG21 ' O ' ' A' ' 47' ' ' ALA . 93.2 t -76.33 139.09 19.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.115 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -115.61 -49.21 2.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 15.7 mmt 61.45 43.94 9.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -122.01 -34.18 3.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.886 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -95.82 -37.1 10.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 52.3 m-85 -70.91 136.32 48.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.602 HG13 ' HD2' ' A' ' 65' ' ' PRO . 89.6 t -138.15 136.78 19.83 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.631 0.729 . . . . 0.0 111.141 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.602 ' HD2' HG13 ' A' ' 64' ' ' VAL . 54.6 Cg_endo -69.71 97.42 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.726 2.284 . . . . 0.0 112.378 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -116.81 166.95 11.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.103 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -101.78 -40.09 7.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 16.2 m -46.06 140.83 3.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 32.9 tp -62.35 -47.72 82.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.914 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -51.57 -47.57 63.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -56.37 -52.04 66.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.438 ' NZ ' ' HA ' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -45.13 -67.74 0.26 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.474 ' HG ' ' CB ' ' A' ' 100' ' ' ALA . 13.6 mt -52.78 -50.33 63.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.553 ' O ' ' CE1' ' A' ' 78' ' ' HIS . 2.5 t -46.39 -36.2 6.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.871 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 -76.82 -47.6 20.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.418 ' CZ2' HG21 ' A' ' 99' ' ' ILE . 37.3 m95 -56.65 -54.6 44.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.896 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -43.33 -41.03 4.92 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.475 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.553 ' CE1' ' O ' ' A' ' 74' ' ' SER . 0.3 OUTLIER -67.86 -49.81 59.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.86 0.362 . . . . 0.0 110.825 -179.929 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.9 tp -56.28 -13.16 1.95 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.629 ' HA ' HD12 ' A' ' 84' ' ' LEU . 0.1 OUTLIER -82.48 -23.66 34.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 179.909 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 41.4 mtp180 -111.79 -19.57 12.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -92.49 -33.35 14.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.461 ' O ' ' C ' ' A' ' 84' ' ' LEU . 72.7 t -112.67 -76.5 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.121 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.629 HD12 ' HA ' ' A' ' 80' ' ' ASN . 73.7 mt -33.53 -53.07 0.41 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.933 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 12.1 tptp -43.15 -51.37 5.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 14.9 mmt85 -59.74 -31.08 69.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.463 HD22 ' HB3' ' A' ' 117' ' ' ARG . 9.6 mt -91.75 27.13 2.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.94 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 1.6 t30 41.38 34.88 0.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -108.54 161.36 15.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 22.8 p -154.81 131.65 10.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.653 HG13 ' HD2' ' A' ' 92' ' ' PRO . 84.3 t -127.58 138.63 33.25 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.608 0.718 . . . . 0.0 111.142 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.653 ' HD2' HG13 ' A' ' 91' ' ' VAL . 54.2 Cg_endo -69.72 159.19 54.38 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.685 2.257 . . . . 0.0 112.345 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -68.5 -15.96 63.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -75.64 -44.03 44.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.869 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.408 HG23 ' HG2' ' A' ' 92' ' ' PRO . 18.4 t -64.17 -28.95 46.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.101 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 6.7 mtm -67.55 -48.7 66.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 65.7 mmt-85 -48.54 -38.43 20.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.499 ' HB2' HG11 ' A' ' 106' ' ' VAL . 21.3 mttp -68.19 -59.82 2.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.909 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.418 HG21 ' CZ2' ' A' ' 76' ' ' TRP . 66.4 mt -46.18 -47.13 6.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.114 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.474 ' CB ' ' HG ' ' A' ' 73' ' ' LEU . . . -65.59 -27.88 68.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.09 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 51.7 mm-40 -80.38 6.52 11.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' CYS . . . . . 0.405 ' CA ' HH22 ' A' ' 38' ' ' ARG . 32.8 m 60.45 53.59 4.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.933 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -96.09 123.75 54.13 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.562 0.696 . . . . 0.0 111.088 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 121.22 7.91 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.645 2.23 . . . . 0.0 112.348 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 112.92 -57.33 0.44 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.478 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.499 HG11 ' HB2' ' A' ' 98' ' ' LYS . 45.0 t -46.49 -52.74 3.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.91 0.386 . . . . 0.0 111.154 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.589 HG13 ' N ' ' A' ' 108' ' ' GLU . 10.7 p -63.47 -48.38 87.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.111 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.696 ' OE2' HD22 ' A' ' 20' ' ' LEU . 9.7 tm-20 -53.6 -41.93 67.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 69.7 mt -58.25 -23.93 57.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 106' ' ' VAL . 5.6 t -92.0 -26.9 4.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.104 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 77.2 mt -73.44 -36.8 65.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.918 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.534 ' N ' ' HD2' ' A' ' 113' ' ' PRO . 3.8 mt -56.11 -57.81 20.12 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.597 0.713 . . . . 0.0 111.142 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.534 ' HD2' ' N ' ' A' ' 112' ' ' ILE . 53.0 Cg_endo -69.82 -38.75 7.24 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.654 2.236 . . . . 0.0 112.314 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 9.3 tp -48.37 -46.9 37.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.919 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 30.3 ttt180 -63.53 -46.35 86.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.909 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -46.58 -38.81 10.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.463 ' HB3' HD22 ' A' ' 87' ' ' LEU . 22.6 mmm180 -72.92 -55.41 6.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.422 ' C ' ' O ' ' A' ' 117' ' ' ARG . 29.5 mt -36.2 -43.25 0.34 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -74.84 -44.43 49.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.903 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 117' ' ' ARG . 9.4 mt-10 -45.98 -23.13 0.26 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.868 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 43.1 mtt-85 -91.99 -43.74 9.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -47.84 -55.32 10.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.956 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 19.8 ptt85 -66.42 164.53 16.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -141.75 142.51 33.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.844 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 18.0 mmt180 -75.05 91.66 2.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.838 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 3.3 mtpm? -99.24 178.07 5.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.909 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.877 179.979 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.2 t -162.25 153.48 17.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.857 0.361 . . . . 0.0 110.84 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.9 p -139.72 176.13 8.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.89 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.08 165.77 26.84 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.518 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.6 t -70.03 112.02 6.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.924 0.392 . . . . 0.0 110.83 -179.748 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.5 m -134.91 145.22 48.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.841 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.09 118.84 9.05 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.494 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 27.3 mtt -79.59 93.87 5.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.796 0.332 . . . . 0.0 110.89 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -152.75 127.62 9.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.062 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 37.9 p 46.09 43.0 10.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.2 m -129.99 167.81 17.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.873 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 63.4 t -84.21 140.2 16.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.147 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -85.24 172.91 10.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -68.47 -45.65 71.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -50.82 -52.39 41.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.899 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -47.6 -52.89 16.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.076 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 65.2 mt -55.71 -46.1 77.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.877 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -39.47 -55.32 1.81 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 25.6 mm100 -42.19 -44.41 3.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.863 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.0 tp -68.34 -43.73 76.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.551 ' CE1' HD13 ' A' ' 36' ' ' LEU . 16.2 m-85 -60.11 -45.01 94.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 21.4 mt -59.8 -38.73 82.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.909 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.466 ' CZ2' ' HB2' ' A' ' 115' ' ' ARG . 12.3 t90 -55.7 -34.23 64.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.428 ' O ' ' C ' ' A' ' 25' ' ' ASP . 83.3 t -84.09 -49.27 16.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.124 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 24' ' ' VAL . 6.3 t70 -35.3 -48.35 0.46 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -47.51 -49.77 25.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.457 HG23 ' CD2' ' A' ' 52' ' ' PHE . 22.6 mt -70.03 119.57 72.53 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.626 0.727 . . . . 0.0 111.161 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 120.77 7.51 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.64 2.227 . . . . 0.0 112.363 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.45 ' O ' ' C ' ' A' ' 30' ' ' SER . 19.2 mt -128.93 35.52 4.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.911 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 29' ' ' LEU . 5.0 m 33.99 38.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.48 ' CG ' ' HD2' ' A' ' 32' ' ' PRO . 6.2 ttt85 -148.21 140.99 15.04 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.564 0.697 . . . . 0.0 110.884 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.48 ' HD2' ' CG ' ' A' ' 31' ' ' ARG . 53.8 Cg_endo -69.74 -175.95 1.32 Allowed 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.664 2.243 . . . . 0.0 112.339 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.446 ' O ' ' C ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -86.47 -70.31 0.61 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.937 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.446 ' C ' ' O ' ' A' ' 33' ' ' LYS . 37.4 mtt180 -33.81 149.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.903 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 61.4 t30 68.73 55.02 0.47 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.551 HD13 ' CE1' ' A' ' 21' ' ' TYR . 11.7 mt -88.86 -37.31 15.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.9 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 46.4 t -44.16 -63.29 0.9 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.829 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 13.6 tpt180 -67.06 -55.23 15.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.796 ' OD1' HD22 ' A' ' 45' ' ' LEU . 44.5 t0 -37.63 -53.0 1.23 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.492 ' O ' ' N ' ' A' ' 42' ' ' ASP . 6.0 m-85 -78.11 -40.35 38.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 40' ' ' PHE . 40.2 t -35.56 -31.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.882 -179.801 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.492 ' N ' ' O ' ' A' ' 40' ' ' PHE . 1.2 p30 -93.11 99.03 11.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.898 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 42' ' ' ASP . . . -34.77 -35.22 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.456 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.584 HG21 ' HA ' ' A' ' 65' ' ' PRO . 98.8 t -38.3 -56.2 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.816 0.341 . . . . 0.0 111.089 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.796 HD22 ' OD1' ' A' ' 39' ' ' ASP . 20.7 tp -58.84 -46.62 87.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 94.6 t -46.75 -55.42 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.157 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.509 ' HA ' HD12 ' A' ' 50' ' ' ILE . . . -46.91 -45.64 20.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.109 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 -47.14 -52.69 14.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.926 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 87.8 t -45.6 -58.28 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.099 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.509 HD12 ' HA ' ' A' ' 47' ' ' ALA . 38.2 mt -43.15 -42.65 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.098 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.447 ' O ' ' C ' ' A' ' 52' ' ' PHE . 0.2 OUTLIER -42.18 -61.58 1.13 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.847 179.897 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.457 ' CD2' HG23 ' A' ' 27' ' ' ILE . 5.9 t80 -34.66 -42.36 0.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -82.32 -56.83 3.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.403 ' CZ ' ' HB3' ' A' ' 121' ' ' ARG . 29.3 m-85 -134.18 114.51 12.68 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.682 0.753 . . . . 0.0 110.87 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -31.77 20.07 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.696 2.264 . . . . 0.0 112.337 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 57' ' ' MET . 23.2 mtpp -70.68 -61.61 1.7 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.431 ' C ' ' O ' ' A' ' 56' ' ' LYS . 50.6 mtp -36.2 -39.25 0.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 85.7 t -68.57 119.28 14.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.115 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -117.34 42.77 2.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.417 ' O ' ' C ' ' A' ' 61' ' ' HIS . 11.8 tpp -55.66 -39.26 70.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.866 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.417 ' C ' ' O ' ' A' ' 60' ' ' MET . 4.5 t-160 -36.26 -34.38 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.851 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.414 ' N ' ' O ' ' A' ' 60' ' ' MET . 1.4 m-20 -87.93 -52.53 5.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 91.9 m-85 -57.02 161.2 3.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.922 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.684 HG13 ' HD2' ' A' ' 65' ' ' PRO . 98.5 t -152.82 138.86 11.99 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.603 0.716 . . . . 0.0 111.165 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.684 ' HD2' HG13 ' A' ' 64' ' ' VAL . 53.7 Cg_endo -69.75 103.27 1.13 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.69 2.26 . . . . 0.0 112.361 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -95.09 169.47 10.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.101 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 9.5 m-20 -111.79 -37.54 5.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.887 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 24.3 t -71.33 112.67 7.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 23.0 tp -38.07 -38.29 0.32 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 90.2 mm-40 -53.18 -56.89 12.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.434 ' O ' ' C ' ' A' ' 72' ' ' LYS . 36.4 tp60 -56.27 -48.11 77.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 71' ' ' GLN . 11.5 mmmm -35.78 -60.23 0.54 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.91 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 12.9 mt -49.28 -50.56 38.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 23.0 t -41.52 -46.05 3.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 27.8 m-20 -63.0 -59.88 4.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.904 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 38.1 m95 -43.95 -58.27 2.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.96 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -38.86 -57.49 1.98 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.466 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.446 ' O ' ' N ' ' A' ' 82' ' ' LYS . 33.3 m80 -53.64 -43.38 68.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.791 0.329 . . . . 0.0 110.845 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.4 tp -53.84 -25.43 19.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.686 ' HA ' HD12 ' A' ' 84' ' ' LEU . 59.1 t-20 -68.27 -37.15 80.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 23.6 mmm180 -110.45 1.31 18.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.834 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 78' ' ' HIS . 32.4 mmtt -104.66 -27.86 11.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.894 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.428 ' O ' ' C ' ' A' ' 84' ' ' LEU . 44.2 t -128.99 -69.29 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.132 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.686 HD12 ' HA ' ' A' ' 80' ' ' ASN . 78.3 mt -36.26 -55.22 0.81 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 34.7 tttm -40.15 -49.71 2.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.942 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.424 ' NH1' ' HB3' ' A' ' 86' ' ' ARG . 6.0 mmm180 -56.24 -39.99 73.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.41 ' O ' ' C ' ' A' ' 88' ' ' ASN . 10.5 mt -92.86 33.01 1.18 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.943 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 87' ' ' LEU . 4.2 m120 37.09 36.4 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -105.24 134.8 47.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 57.0 p -123.6 147.31 47.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 85.7 t -149.74 125.43 5.0 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.655 0.74 . . . . 0.0 111.095 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.494 ' HG2' HG23 ' A' ' 95' ' ' VAL . 53.7 Cg_endo -69.77 135.4 30.33 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.651 2.234 . . . . 0.0 112.302 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -42.56 -36.65 1.42 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -51.88 -54.7 26.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.494 HG23 ' HG2' ' A' ' 92' ' ' PRO . 42.5 t -57.64 -37.8 60.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.141 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 11.1 mtm -62.96 -47.77 81.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.87 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 11.5 mmm180 -45.5 -49.63 13.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.878 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.455 ' HB3' ' CB ' ' A' ' 103' ' ' ALA . 23.2 mttm -61.05 -60.98 2.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.855 HG23 ' HB ' ' A' ' 107' ' ' VAL . 85.4 mt -38.88 -67.63 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.122 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -49.71 -31.94 12.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.131 179.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.432 ' O ' ' C ' ' A' ' 102' ' ' CYS . 12.1 mm-40 -86.78 33.53 0.65 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' CYS . . . . . 0.432 ' C ' ' O ' ' A' ' 101' ' ' GLN . 21.8 p 34.69 38.37 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.64 ' HB1' ' HD2' ' A' ' 104' ' ' PRO . . . -55.29 162.47 2.16 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.587 0.708 . . . . 0.0 111.09 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.64 ' HD2' ' HB1' ' A' ' 103' ' ' ALA . 53.4 Cg_endo -69.75 114.72 3.79 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.682 2.254 . . . . 0.0 112.323 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 104' ' ' PRO . . . 36.14 81.18 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.451 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.425 HG11 ' HB2' ' A' ' 98' ' ' LYS . 74.9 t -134.83 -54.5 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.87 0.367 . . . . 0.0 111.189 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.855 ' HB ' HG23 ' A' ' 99' ' ' ILE . 12.0 p -57.76 -28.34 32.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.14 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.4 ' HA ' HD12 ' A' ' 111' ' ' LEU . 39.5 mp0 -61.24 -45.01 96.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 20.9 mt -48.33 -22.48 0.7 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.929 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 40.8 t -100.29 -27.23 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.164 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.4 HD12 ' HA ' ' A' ' 108' ' ' GLU . 81.0 mt -71.65 -43.04 66.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.525 ' N ' ' HD2' ' A' ' 113' ' ' PRO . 3.7 mt -51.09 -57.92 12.2 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.599 0.714 . . . . 0.0 111.085 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.525 ' HD2' ' N ' ' A' ' 112' ' ' ILE . 54.1 Cg_endo -69.74 -21.23 33.88 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.685 2.257 . . . . 0.0 112.377 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 7.4 tp -52.86 -54.48 33.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.466 ' HB2' ' CZ2' ' A' ' 23' ' ' TRP . 26.7 ttt180 -57.92 -45.3 86.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 11.9 mm-40 -49.84 -55.1 15.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -58.33 -50.89 72.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.405 HD12 ' HA ' ' A' ' 115' ' ' ARG . 35.5 mt -51.02 -46.31 61.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -47.43 -50.15 23.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -56.31 -24.44 43.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.403 ' HB3' ' CZ ' ' A' ' 54' ' ' PHE . 6.8 mmt180 -88.94 -38.1 14.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -42.68 -66.01 0.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 1.4 ptm85 -46.57 -39.55 11.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.425 ' NH1' ' HB2' ' A' ' 124' ' ' ARG . 27.3 mtm105 -92.78 95.32 9.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 4.9 ptt-85 -137.45 171.42 14.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.91 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 2.2 mtpm? -115.64 127.29 55.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 17.7 mm100 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 179.923 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.3 m -61.19 152.28 29.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.867 0.365 . . . . 0.0 110.853 -179.716 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.6 t -166.86 129.85 1.83 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.846 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.48 152.99 3.08 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.516 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.7 p -129.54 49.09 2.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.922 0.391 . . . . 0.0 110.837 -179.699 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 p -84.26 23.79 1.04 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.89 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.08 -144.56 8.79 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.493 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 29.4 mmt -97.55 63.94 1.79 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.837 0.351 . . . . 0.0 110.926 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -126.18 37.0 4.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.092 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.5 m -138.09 153.58 49.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.835 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.7 m -83.38 160.18 21.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.827 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.537 HG13 ' HB3' ' A' ' 16' ' ' ALA . 94.8 t -40.93 130.24 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.139 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -93.63 173.16 7.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.833 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -55.73 -47.83 76.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -48.77 -46.65 41.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.537 ' HB3' HG13 ' A' ' 12' ' ' VAL . . . -70.29 -39.77 74.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.143 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 41.9 mt -59.54 -49.66 76.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 12.9 t-160 -39.0 -53.29 1.77 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.866 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.545 ' HA ' HD12 ' A' ' 22' ' ' LEU . 28.5 mm100 -43.11 -41.84 3.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.855 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.709 HD22 HG13 ' A' ' 112' ' ' ILE . 20.7 tp -68.95 -37.19 78.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.546 ' CE1' ' OE1' ' A' ' 108' ' ' GLU . 10.6 m-85 -63.06 -41.33 99.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.943 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.545 HD12 ' HA ' ' A' ' 19' ' ' GLN . 14.0 mt -60.31 -52.75 63.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.892 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.577 ' CH2' HG11 ' A' ' 49' ' ' VAL . 20.0 t90 -39.32 -41.5 0.92 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.921 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.456 ' HA ' HD12 ' A' ' 27' ' ' ILE . 79.4 t -68.9 -38.48 78.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.155 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 22' ' ' LEU . 52.1 m-20 -63.58 -43.97 95.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.425 ' ND2' ' HA ' ' A' ' 23' ' ' TRP . 3.4 m-20 -53.43 -50.85 64.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.803 HD13 HG13 ' A' ' 49' ' ' VAL . 19.6 mt -51.74 133.63 36.97 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.645 0.736 . . . . 0.0 111.088 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.47 ' HD2' HG23 ' A' ' 27' ' ' ILE . 53.6 Cg_endo -69.79 86.16 0.59 Allowed 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.643 2.229 . . . . 0.0 112.374 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 29.9 mt -124.71 126.87 46.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 31.6 m -76.79 49.85 0.66 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.834 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.509 ' HG3' HD11 ' A' ' 45' ' ' LEU . 2.9 mmp_? -124.09 152.4 66.98 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.632 0.729 . . . . 0.0 110.9 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.481 ' O ' ' N ' ' A' ' 34' ' ' ARG . 53.2 Cg_endo -69.78 97.75 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.685 2.257 . . . . 0.0 112.329 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 32' ' ' PRO . 0.0 OUTLIER -37.39 -29.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.927 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.481 ' N ' ' O ' ' A' ' 32' ' ' PRO . 94.5 mtt180 -85.2 142.05 29.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.871 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 58.82 33.54 23.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.531 HD12 ' N ' ' A' ' 37' ' ' SER . 4.2 pp -64.19 -39.61 94.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.531 ' N ' HD12 ' A' ' 36' ' ' LEU . 32.3 t -50.84 -42.03 58.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.888 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 39.8 ttt180 -51.74 -49.61 62.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.894 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.79 -50.84 18.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -43.72 -36.09 2.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 40.9 t -47.96 -40.34 22.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.868 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.432 ' HA ' ' CD ' ' A' ' 72' ' ' LYS . 1.1 m-20 -57.27 -43.26 82.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.846 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 112.44 -38.82 3.09 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.499 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 55.4 t -45.34 -51.93 2.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.853 0.359 . . . . 0.0 111.109 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.509 HD11 ' HG3' ' A' ' 31' ' ' ARG . 4.2 mm? -50.31 -57.46 7.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 93.5 t -43.03 -37.18 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.132 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.89 -53.2 34.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.075 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -49.81 -44.83 49.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.844 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.803 HG13 HD13 ' A' ' 27' ' ' ILE . 79.5 t -49.29 -51.53 13.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.12 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 38.1 mt -53.94 -41.37 49.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.16 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.2 tmtp? -37.08 -55.99 0.92 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -43.19 -45.05 5.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.864 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -75.66 -46.51 30.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.945 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.486 ' CZ ' ' HB3' ' A' ' 121' ' ' ARG . 55.2 m-85 -147.47 120.48 4.8 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.645 0.736 . . . . 0.0 110.835 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -38.49 7.7 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.649 2.232 . . . . 0.0 112.333 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 57' ' ' MET . 19.0 ptmt -65.38 -55.27 19.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.44 ' SD ' ' CD2' ' A' ' 54' ' ' PHE . 75.0 mtp -37.11 -55.1 0.97 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 72.5 t -65.2 114.57 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.127 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -118.38 99.67 6.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.87 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 90.0 mmm -89.88 53.52 2.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 61.7 t60 -112.47 -39.12 4.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.91 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.582 ' ND2' ' CE1' ' A' ' 63' ' ' TYR . 2.9 p-10 -100.23 -26.89 13.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.582 ' CE1' ' ND2' ' A' ' 62' ' ' ASN . 21.9 m-85 -78.97 146.81 33.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.656 HG13 ' HD2' ' A' ' 65' ' ' PRO . 93.6 t -156.84 138.54 9.93 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.659 0.742 . . . . 0.0 111.146 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.656 ' HD2' HG13 ' A' ' 64' ' ' VAL . 53.9 Cg_endo -69.77 117.61 5.18 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.714 2.276 . . . . 0.0 112.34 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -129.18 -179.31 5.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 -118.79 -44.35 2.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 9.0 t -56.5 128.76 37.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.853 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 12.9 tp -52.78 -44.94 66.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.895 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 11.1 tp-100 -39.79 -50.14 2.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 72' ' ' LYS . 60.2 tp60 -62.59 -47.32 84.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.432 ' CD ' ' HA ' ' A' ' 42' ' ' ASP . 25.7 mmtm -37.07 -62.76 0.47 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.928 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 14.6 mt -54.84 -46.77 74.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 37.0 t -49.92 -59.91 3.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -48.83 -66.32 0.42 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.841 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.48 ' CZ2' HG21 ' A' ' 99' ' ' ILE . 40.5 m95 -39.82 -54.93 2.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -38.8 -60.6 1.47 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.541 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 12.4 m-70 -54.28 -36.77 63.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.845 0.355 . . . . 0.0 110.886 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.3 tp -61.79 -20.78 63.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.401 ' HA ' HD12 ' A' ' 84' ' ' LEU . 64.5 t-20 -79.84 -28.71 40.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.851 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 9.8 mtt85 -110.21 1.87 18.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.49 -35.94 5.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.441 ' O ' ' C ' ' A' ' 84' ' ' LEU . 92.7 t -112.3 -71.9 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.146 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.441 ' C ' ' O ' ' A' ' 83' ' ' VAL . 41.2 mt -35.0 -57.99 0.54 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 84' ' ' LEU . 9.7 tppt? -35.84 -57.53 0.67 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 19.7 mmt180 -52.54 -44.68 65.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.426 ' O ' ' C ' ' A' ' 88' ' ' ASN . 10.8 mt -86.43 31.77 0.65 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.426 ' C ' ' O ' ' A' ' 87' ' ' LEU . 16.0 m120 36.22 38.6 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -108.91 147.37 32.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 87.5 p -137.89 147.02 44.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.836 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 12.2 t -149.08 130.77 7.42 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.64 0.733 . . . . 0.0 111.126 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.598 ' HG2' HG23 ' A' ' 95' ' ' VAL . 53.2 Cg_endo -69.79 176.0 7.38 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.672 2.248 . . . . 0.0 112.34 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -75.14 -46.75 32.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.843 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -44.68 -51.01 9.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.598 HG23 ' HG2' ' A' ' 92' ' ' PRO . 97.0 t -59.97 -43.05 91.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.155 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.512 ' HA ' HD12 ' A' ' 99' ' ' ILE . 6.1 mtm -61.51 -45.51 93.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -49.3 -48.53 46.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.541 ' HB2' HG11 ' A' ' 106' ' ' VAL . 31.4 mtpt -57.21 -56.17 25.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.512 HD12 ' HA ' ' A' ' 96' ' ' MET . 30.9 mt -47.44 -55.7 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.13 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -59.08 -22.82 61.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -84.91 14.16 5.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.954 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 38.9 t 58.77 40.17 23.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.883 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -77.74 118.34 71.46 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.587 0.708 . . . . 0.0 111.092 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.83 119.37 6.33 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.658 2.238 . . . . 0.0 112.333 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 105.83 -52.74 0.68 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.453 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.541 HG11 ' HB2' ' A' ' 98' ' ' LYS . 60.4 t -43.79 -62.52 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.895 0.378 . . . . 0.0 111.142 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 8.3 p -45.65 -38.68 2.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.101 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.546 ' OE1' ' CE1' ' A' ' 21' ' ' TYR . 4.9 mm-40 -64.3 -35.83 82.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 87.2 mt -53.68 -19.76 4.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 72.4 t -105.97 -25.23 3.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.162 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.421 HD12 ' OE2' ' A' ' 108' ' ' GLU . 75.8 mt -72.3 -39.44 68.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.945 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.709 HG13 HD22 ' A' ' 20' ' ' LEU . 3.7 mt -55.28 -57.88 17.98 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.605 0.716 . . . . 0.0 111.14 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.536 ' HD2' ' N ' ' A' ' 112' ' ' ILE . 53.6 Cg_endo -69.76 -35.97 11.66 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.675 2.25 . . . . 0.0 112.347 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 7.3 tt -58.09 -56.42 22.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.95 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.488 ' HA ' HD12 ' A' ' 118' ' ' LEU . 20.2 ttt180 -53.48 -40.41 65.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 7.3 mm100 -53.02 -56.02 19.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.935 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.431 ' O ' ' N ' ' A' ' 120' ' ' GLU . 9.4 mpt_? -52.46 -53.41 45.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.488 HD12 ' HA ' ' A' ' 115' ' ' ARG . 26.2 mt -36.77 -56.98 0.82 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -45.39 -40.96 8.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.848 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 117' ' ' ARG . 8.3 tm-20 -55.66 -49.84 71.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.486 ' HB3' ' CZ ' ' A' ' 54' ' ' PHE . 69.5 mtt-85 -68.19 -37.18 80.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.9 -66.87 0.43 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.942 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 13.4 ptt85 -66.29 174.2 2.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -166.44 127.39 1.71 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 9.4 tpt180 -80.91 148.82 29.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 15.3 tttp -116.82 39.88 3.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.96 179.944 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.2 m -139.79 115.06 9.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.86 0.362 . . . . 0.0 110.842 -179.695 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.3 t -92.64 151.42 20.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.55 149.87 51.18 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.501 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.3 p -153.24 105.53 2.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.903 0.382 . . . . 0.0 110.856 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.6 p -120.05 155.57 32.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.87 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -112.91 -109.51 2.96 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.494 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 20.2 ttm -56.2 115.41 2.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.81 0.338 . . . . 0.0 110.89 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -136.42 150.33 48.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.097 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 93.3 p -95.14 177.64 5.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 46.5 p -113.26 162.45 16.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.903 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.52 ' O ' HG12 ' A' ' 12' ' ' VAL . 11.5 t 57.87 35.46 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.13 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -53.85 175.9 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -44.33 -40.96 5.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.898 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -53.31 -52.68 58.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.931 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -43.57 -40.81 4.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.084 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 18' ' ' HIS . 48.0 mt -68.39 -71.32 0.22 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.94 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.429 ' C ' ' O ' ' A' ' 17' ' ' LEU . 8.4 t-80 -35.45 -50.33 0.57 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 22.5 mm100 -53.14 -46.91 69.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.441 ' CD2' ' HG2' ' A' ' 108' ' ' GLU . 6.6 tp -64.35 -35.46 80.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.619 ' CE2' ' CD2' ' A' ' 36' ' ' LEU . 3.3 m-85 -63.88 -13.79 48.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 38.8 mt -91.19 -47.68 7.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.867 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 26.2 t90 -46.58 -48.42 19.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.899 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.409 ' O ' ' C ' ' A' ' 25' ' ' ASP . 85.4 t -62.09 -45.93 97.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.098 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 24' ' ' VAL . 42.3 t0 -37.0 -55.51 0.92 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -41.69 -53.31 3.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 49.2 mt -67.73 123.09 86.09 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.64 0.733 . . . . 0.0 111.15 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 99.43 0.75 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.709 2.273 . . . . 0.0 112.317 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 40.2 mt -111.86 100.19 8.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.919 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 18.8 m -55.24 98.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.3 tpm_? -150.73 120.72 3.7 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.593 0.711 . . . . 0.0 110.892 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -165.07 0.14 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.719 2.279 . . . . 0.0 112.342 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -73.85 111.73 9.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 29.6 ttt180 -165.01 164.13 20.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -53.29 146.63 11.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.619 ' CD2' ' CE2' ' A' ' 21' ' ' TYR . 7.5 tp -89.11 -48.19 7.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.936 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 32.4 t -65.39 -28.25 69.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 9.3 tpp85 -75.14 -43.61 51.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.845 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -63.27 -39.7 95.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.924 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -76.97 -40.21 47.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.3 t -44.15 -30.02 0.71 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.828 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.483 ' OD1' HG23 ' A' ' 44' ' ' VAL . 45.4 t0 -90.56 136.9 32.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.836 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -80.28 44.11 2.81 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.464 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.483 HG23 ' OD1' ' A' ' 42' ' ' ASP . 91.2 t -115.21 -39.96 2.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.84 0.352 . . . . 0.0 111.096 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.2 tp -77.77 -43.87 29.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.932 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 97.1 t -40.97 -38.57 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.122 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.538 ' HA ' HD12 ' A' ' 50' ' ' ILE . . . -61.88 -43.38 98.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.08 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -51.87 -45.88 64.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 98.4 t -53.9 -30.87 19.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.121 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.538 HD12 ' HA ' ' A' ' 47' ' ' ALA . 38.1 mt -72.05 -40.98 67.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.102 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.4 tppt? -41.55 -50.69 4.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 45.3 t80 -46.67 -43.09 17.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.836 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.611 ' CD2' HD13 ' A' ' 118' ' ' LEU . 81.9 m-85 -85.24 -65.96 0.95 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.957 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -124.9 120.9 25.52 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.629 0.728 . . . . 0.0 110.869 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -50.7 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.693 2.262 . . . . 0.0 112.346 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.437 ' HD3' ' N ' ' A' ' 56' ' ' LYS . 0.1 OUTLIER -54.32 -59.17 5.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.407 ' C ' ' O ' ' A' ' 56' ' ' LYS . 15.0 mtp -35.88 -40.95 0.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.408 ' CG1' ' HG3' ' A' ' 60' ' ' MET . 40.1 t -53.98 -71.85 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.139 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 49.78 50.51 18.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.855 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.416 ' HE3' HG13 ' A' ' 44' ' ' VAL . 11.2 mtp -78.89 48.82 0.86 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 65.7 t60 -106.34 -0.73 24.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.841 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -117.49 -26.02 6.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 74.2 m-85 -81.66 157.72 24.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.62 HG13 ' HD2' ' A' ' 65' ' ' PRO . 84.2 t -155.34 137.6 10.01 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.624 0.726 . . . . 0.0 111.106 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.62 ' HD2' HG13 ' A' ' 64' ' ' VAL . 53.5 Cg_endo -69.8 96.09 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.693 2.262 . . . . 0.0 112.32 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -101.51 154.09 19.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.086 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 18.8 t30 -88.25 -34.26 17.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.877 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 20.7 m -63.37 -178.83 0.28 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.406 ' C ' HD23 ' A' ' 69' ' ' LEU . 9.6 tt -101.3 -44.8 5.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.917 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 9.7 mm-40 -43.46 -42.71 4.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -68.24 -43.82 77.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 58.6 mmtt -43.31 -64.07 0.71 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.445 HD21 ' HA ' ' A' ' 97' ' ' ARG . 29.0 mt -59.3 -45.76 90.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 47.9 t -41.95 -50.73 4.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.876 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.414 ' O ' ' N ' ' A' ' 78' ' ' HIS . 93.0 m-20 -63.4 -61.93 2.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.889 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.405 ' C ' ' O ' ' A' ' 75' ' ' ASN . 43.1 m95 -37.73 -54.26 1.22 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.875 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -49.6 -39.0 29.69 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.531 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.414 ' N ' ' O ' ' A' ' 75' ' ' ASN . 3.2 t-160 -73.79 -33.3 64.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.86 0.362 . . . . 0.0 110.849 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 8.2 tp -72.87 -12.39 60.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.936 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.424 ' HA ' HD12 ' A' ' 84' ' ' LEU . 64.1 t-20 -73.44 -37.74 65.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 27.2 mtt85 -103.39 3.94 35.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 6.8 mmtp -110.95 -22.82 11.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 54.8 t -127.16 -72.83 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.138 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.424 HD12 ' HA ' ' A' ' 80' ' ' ASN . 40.9 mt -41.11 -65.9 0.38 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.935 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 14.1 tmtt? -42.65 -52.26 4.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 21.7 mmt180 -58.38 -34.47 70.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.425 HD23 ' HD2' ' A' ' 121' ' ' ARG . 17.0 mt -92.31 27.1 2.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 50.64 27.58 3.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -106.4 167.8 9.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.856 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 68.2 p -155.16 148.47 24.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.84 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 10.4 t -143.98 131.78 10.77 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.6 0.714 . . . . 0.0 111.14 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.488 ' HG2' HG23 ' A' ' 95' ' ' VAL . 53.5 Cg_endo -69.78 158.75 55.86 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.72 2.28 . . . . 0.0 112.332 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -72.91 -12.93 61.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.864 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -82.71 -31.5 28.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.488 HG23 ' HG2' ' A' ' 92' ' ' PRO . 21.2 t -78.11 -25.09 14.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.1 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 9.0 mtt -75.87 -49.93 16.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.445 ' HA ' HD21 ' A' ' 73' ' ' LEU . 36.0 mtm180 -51.51 -28.28 13.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 33.0 mttp -78.71 -57.14 3.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.85 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.454 HG23 ' HB ' ' A' ' 107' ' ' VAL . 84.6 mt -45.76 -56.82 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.139 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -60.77 -17.74 50.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.095 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 19.3 mm-40 -99.05 36.2 1.75 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 22.2 m 40.6 45.04 1.91 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.87 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.91 152.64 96.23 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.601 0.715 . . . . 0.0 111.082 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.445 ' O ' ' C ' ' A' ' 105' ' ' GLY . 53.5 Cg_endo -69.84 118.25 5.57 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.696 2.264 . . . . 0.0 112.335 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 104' ' ' PRO . . . 34.38 81.46 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.463 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 24.6 t -129.81 -48.44 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.859 0.361 . . . . 0.0 111.114 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.454 ' HB ' HG23 ' A' ' 99' ' ' ILE . 14.1 p -72.61 -21.67 19.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.131 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.441 ' HG2' ' CD2' ' A' ' 20' ' ' LEU . 0.6 OUTLIER -63.64 -44.63 93.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 63.2 mt -57.19 -21.62 34.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 19.7 t -92.04 -20.72 6.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.093 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 89.0 mt -75.03 -46.82 32.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.528 ' N ' ' HD2' ' A' ' 113' ' ' PRO . 2.7 mt -44.61 -58.01 5.88 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.558 0.694 . . . . 0.0 111.129 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.528 ' HD2' ' N ' ' A' ' 112' ' ' ILE . 53.8 Cg_endo -69.76 -27.57 26.31 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.69 2.26 . . . . 0.0 112.388 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 6.8 tp -53.03 -48.43 67.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 21.6 ptt180 -66.58 -40.93 89.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.826 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 -51.77 -33.37 34.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.933 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 120' ' ' GLU . 23.6 mmm180 -82.91 -56.86 3.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.611 HD13 ' CD2' ' A' ' 53' ' ' TYR . 41.2 mt -41.77 -39.51 1.76 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.935 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -77.45 -32.7 54.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 117' ' ' ARG . 1.5 tp10 -62.92 -24.42 67.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.855 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.425 ' HD2' HD23 ' A' ' 87' ' ' LEU . 37.5 mtt-85 -103.5 -27.07 12.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -54.58 -61.75 2.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.927 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -58.18 -44.04 87.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 32.6 mtp85 -52.4 112.83 0.88 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 35.3 ttt180 -95.28 94.53 7.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 5.6 mtpp -105.08 157.37 17.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.987 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.9 m -128.9 140.97 51.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.935 0.398 . . . . 0.0 110.87 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.4 p -101.34 172.15 7.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.878 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -90.07 -109.9 1.36 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.496 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 m 60.35 41.95 15.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.914 0.387 . . . . 0.0 110.904 -179.713 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.2 m -109.88 82.68 1.63 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.868 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 124.2 -39.55 2.13 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.489 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 9.5 ptm -73.45 -5.55 40.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.745 0.307 . . . . 0.0 110.857 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -124.58 128.33 48.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.092 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.0 t -94.85 -54.0 3.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.853 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.5 m -59.56 117.41 4.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 86.4 t -52.19 143.07 4.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.127 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -142.92 176.68 8.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.835 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.492 ' HA ' HD12 ' A' ' 17' ' ' LEU . 26.1 mt-10 -51.8 -35.26 43.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -61.97 -47.7 83.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.904 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.42 -52.89 63.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.164 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.492 HD12 ' HA ' ' A' ' 14' ' ' GLU . 31.6 mt -46.73 -55.97 6.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 54.9 t60 -38.68 -50.86 1.66 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.852 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 40.9 mm-40 -46.02 -42.86 13.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.403 HD23 ' OE1' ' A' ' 108' ' ' GLU . 25.6 tp -67.49 -36.08 80.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.847 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -63.52 -56.51 15.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.935 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 49.0 mt -43.87 -54.52 5.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.935 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.538 ' CE2' ' HD2' ' A' ' 115' ' ' ARG . 6.2 t90 -39.98 -37.24 0.56 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.946 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 73.3 t -75.53 -42.71 42.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.424 ' OD1' ' C ' ' A' ' 25' ' ' ASP . 0.2 OUTLIER -52.58 -29.39 25.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.855 179.925 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -76.69 -46.23 26.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.493 HG23 ' HD2' ' A' ' 28' ' ' PRO . 93.1 mt -57.95 134.28 83.62 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.59 0.71 . . . . 0.0 111.151 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.493 ' HD2' HG23 ' A' ' 27' ' ' ILE . 54.1 Cg_endo -69.76 108.69 2.13 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.698 2.265 . . . . 0.0 112.369 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 15.8 mt -132.08 120.78 22.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.9 t -50.91 -25.35 4.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.418 ' HD2' ' CG ' ' A' ' 39' ' ' ASP . 33.6 ttp180 -45.52 134.82 5.97 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.58 0.705 . . . . 0.0 110.918 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -164.25 0.12 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.729 2.286 . . . . 0.0 112.328 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.5 mppt? -90.31 117.19 28.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 11.7 ttp180 -175.16 -178.36 1.18 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.853 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.429 ' HB2' ' CG ' ' A' ' 38' ' ' ARG . 19.2 m120 -55.14 169.68 0.24 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.468 HD22 ' HA ' ' A' ' 36' ' ' LEU . 1.0 OUTLIER -89.44 -61.46 1.69 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 179.93 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 7.1 t -54.46 -43.44 71.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.429 ' CG ' ' HB2' ' A' ' 35' ' ' ASN . 20.0 mmt85 -47.19 -36.69 9.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.865 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.418 ' CG ' ' HD2' ' A' ' 31' ' ' ARG . 5.9 m-20 -93.8 -63.13 1.23 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.863 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.44 ' O ' ' C ' ' A' ' 41' ' ' SER . 3.8 m-85 -41.76 -43.37 2.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 40' ' ' PHE . 60.4 p -34.74 -41.96 0.14 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.857 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.445 ' O ' ' C ' ' A' ' 43' ' ' GLY . 30.1 t0 -75.71 108.41 8.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.858 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 42' ' ' ASP . . . -34.34 -49.65 0.67 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.451 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 92.5 t -43.02 -53.83 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.904 0.383 . . . . 0.0 111.141 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -48.41 -57.07 6.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.912 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 61.6 t -48.43 -45.88 14.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.097 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -53.73 -38.1 63.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.11 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -60.78 -40.45 92.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 71.3 t -54.97 -25.0 15.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.125 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.403 ' HB ' HG22 ' A' ' 58' ' ' VAL . 24.3 mt -81.42 -40.09 17.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.116 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 15.0 tptm -42.3 -52.3 4.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -44.15 -52.75 7.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.613 ' CD2' HD13 ' A' ' 118' ' ' LEU . 58.1 m-85 -73.27 -63.88 1.09 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 -179.837 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -126.91 122.8 23.43 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.686 0.755 . . . . 0.0 110.863 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -49.53 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.687 2.258 . . . . 0.0 112.351 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.485 ' O ' ' N ' ' A' ' 58' ' ' VAL . 25.1 mmmt -56.04 -54.68 41.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 58.9 mmm -38.37 -26.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.485 ' N ' ' O ' ' A' ' 56' ' ' LYS . 59.6 t -92.25 136.84 23.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.141 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 17.4 mp0 -132.96 94.11 3.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 2.9 mmt -89.93 31.31 0.98 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -104.27 -42.73 5.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.588 ' OD1' ' CD1' ' A' ' 63' ' ' TYR . 11.2 p30 -89.71 -39.33 13.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.588 ' CD1' ' OD1' ' A' ' 62' ' ' ASN . 20.8 m-85 -67.43 148.77 51.13 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 10.9 t -147.2 131.94 8.84 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.628 0.727 . . . . 0.0 111.117 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 126.78 13.68 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.689 2.26 . . . . 0.0 112.351 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.435 ' CB ' ' HG2' ' A' ' 71' ' ' GLN . . . -143.42 174.8 10.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.061 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 46.1 p30 -126.61 20.14 7.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 11.8 m -118.05 139.54 51.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.814 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.433 ' O ' ' C ' ' A' ' 70' ' ' GLN . 4.0 mm? -48.09 -72.9 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.921 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' A' ' 69' ' ' LEU . 5.1 pt20 -34.45 -49.16 0.38 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.917 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.435 ' HG2' ' CB ' ' A' ' 66' ' ' ALA . 11.2 tp60 -59.06 -48.9 79.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 69' ' ' LEU . 17.6 mmtp -56.74 -58.56 7.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.625 HD21 ' HA ' ' A' ' 97' ' ' ARG . 43.4 mt -52.74 -42.13 64.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.89 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 6.4 t -53.36 -49.08 67.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -64.79 -58.23 6.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.94 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.429 ' CZ2' HG21 ' A' ' 99' ' ' ILE . 45.1 m95 -42.93 -51.72 5.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.948 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -44.17 -43.73 7.35 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.469 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 48.6 m170 -66.78 -45.8 77.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.835 0.35 . . . . 0.0 110.884 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.588 HD12 ' OH ' ' A' ' 63' ' ' TYR . 4.4 tp -58.77 -21.68 56.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.916 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.606 ' HA ' HD12 ' A' ' 84' ' ' LEU . 0.1 OUTLIER -75.0 -29.07 60.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 179.877 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 35.4 mtm180 -110.02 3.94 20.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.847 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 9.7 mmtp -115.05 -36.11 4.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.416 ' O ' ' C ' ' A' ' 84' ' ' LEU . 55.6 t -108.26 -74.38 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.148 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.606 HD12 ' HA ' ' A' ' 80' ' ' ASN . 61.9 mt -36.84 -58.23 0.77 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.927 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 84' ' ' LEU . 33.2 tptt -36.55 -56.38 0.81 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.812 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 15.4 mmp_? -58.7 -35.66 72.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.488 ' N ' ' O ' ' A' ' 84' ' ' LEU . 22.8 mt -86.71 27.84 0.94 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 38.88 34.75 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -107.4 167.73 9.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 44.0 p -156.18 141.32 17.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 13.1 t -142.4 131.54 12.0 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.647 0.737 . . . . 0.0 111.11 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.691 ' HG2' HG23 ' A' ' 95' ' ' VAL . 53.8 Cg_endo -69.79 159.91 51.66 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.684 2.256 . . . . 0.0 112.369 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -63.3 -36.36 83.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.863 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 -55.67 -57.18 13.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.691 HG23 ' HG2' ' A' ' 92' ' ' PRO . 71.9 t -57.03 -41.56 77.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.114 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.793 ' HA ' HD12 ' A' ' 99' ' ' ILE . 7.5 mtm -55.92 -47.38 77.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.625 ' HA ' HD21 ' A' ' 73' ' ' LEU . 13.1 mmt85 -47.26 -57.83 4.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 25.8 mttm -53.38 -46.55 69.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.917 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.793 HD12 ' HA ' ' A' ' 96' ' ' MET . 72.9 mt -49.77 -55.95 4.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.137 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -59.84 -19.16 49.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.063 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -90.61 26.93 1.86 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.959 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 19.7 p 39.01 49.16 1.55 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -85.5 125.09 70.5 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.599 0.714 . . . . 0.0 111.101 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 135.8 31.47 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.66 2.24 . . . . 0.0 112.39 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 86.96 -29.39 5.09 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.477 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 97.9 t -69.14 -74.27 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.876 0.37 . . . . 0.0 111.154 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 5.4 p -47.9 -23.92 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.096 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.704 ' HA ' HD12 ' A' ' 111' ' ' LEU . 30.2 mt-10 -66.06 -40.59 91.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.866 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 21.0 mt -56.02 -20.41 16.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.1 t -97.37 -28.07 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.153 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.704 HD12 ' HA ' ' A' ' 108' ' ' GLU . 23.9 mt -70.8 -49.76 43.01 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.531 HG22 ' N ' ' A' ' 113' ' ' PRO . 2.7 mt -44.86 -58.68 5.09 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.638 0.732 . . . . 0.0 111.124 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.531 ' N ' HG22 ' A' ' 112' ' ' ILE . 53.7 Cg_endo -69.74 -50.43 0.47 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.696 2.264 . . . . 0.0 112.327 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 8.0 tt -47.09 -51.48 17.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.885 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.538 ' HD2' ' CE2' ' A' ' 23' ' ' TRP . 35.5 ttp180 -59.4 -47.27 86.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -47.2 -33.44 5.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.466 ' HB3' HD22 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -74.79 -51.26 14.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.847 -179.879 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.613 HD13 ' CD2' ' A' ' 53' ' ' TYR . 59.3 mt -40.38 -47.34 2.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.932 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -60.8 -40.06 91.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 117' ' ' ARG . 20.7 tt0 -61.03 -44.32 97.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 7.5 mtt-85 -71.02 -37.2 72.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -49.74 -65.55 0.54 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.941 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.7 177.14 7.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.888 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 8.6 ptp180 -161.75 175.47 11.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 11.8 tpt180 -109.77 115.15 29.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.87 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' LYS . . . . . 0.451 ' CE ' ' HA ' ' A' ' 126' ' ' LYS . 0.2 OUTLIER -70.04 131.41 44.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 69.0 mt-30 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 179.975 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.471 -0.251 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.9 p -116.45 130.45 56.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.9 0.381 . . . . 0.0 110.844 -179.746 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.4 m -110.75 150.94 28.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.866 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.28 75.67 0.36 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.53 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.7 p -129.67 143.89 51.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.819 0.342 . . . . 0.0 110.92 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.9 m -94.21 42.15 1.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.36 90.47 0.86 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.496 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.3 ptm -165.66 150.53 8.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.741 0.305 . . . . 0.0 110.926 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 46.1 46.87 13.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.099 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 35.3 t -131.63 143.36 50.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.821 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.4 m -51.15 173.49 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.882 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 54.2 t -55.7 130.13 17.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.117 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -68.93 166.78 17.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -65.66 -48.51 71.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.433 ' HG3' ' N ' ' A' ' 16' ' ' ALA . 11.2 pt-20 -50.83 -45.56 59.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.869 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.433 ' N ' ' HG3' ' A' ' 15' ' ' GLU . . . -50.31 -54.79 18.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.125 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.405 ' C ' ' O ' ' A' ' 16' ' ' ALA . 44.3 mt -37.08 -56.49 0.9 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 19.9 t-160 -43.81 -56.38 3.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.825 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.677 ' HA ' HD12 ' A' ' 22' ' ' LEU . 48.3 mm-40 -42.75 -43.0 3.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.9 tp -68.5 -38.22 80.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -61.43 -30.92 70.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.905 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.677 HD12 ' HA ' ' A' ' 19' ' ' GLN . 14.4 mt -68.41 -55.92 10.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.946 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.492 ' CZ2' ' CG1' ' A' ' 49' ' ' VAL . 5.1 t90 -41.15 -53.88 3.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.605 ' HA ' HD12 ' A' ' 27' ' ' ILE . 75.4 t -67.52 -55.41 17.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.144 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -38.72 -39.9 0.55 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -64.04 -44.67 91.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.605 HD12 ' HA ' ' A' ' 24' ' ' VAL . 25.3 mt -62.09 121.57 66.73 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.61 0.719 . . . . 0.0 111.16 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 82.36 0.75 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.71 2.273 . . . . 0.0 112.326 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 95.3 mt -82.61 110.66 17.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.952 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 24.1 m -71.56 80.49 0.81 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.844 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.4 mmp_? -134.85 152.84 78.14 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.572 0.701 . . . . 0.0 110.877 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -165.78 0.16 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.659 2.239 . . . . 0.0 112.335 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -90.3 115.15 27.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.94 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.6 tpp180 -172.12 160.49 5.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 34.9 m120 -50.28 173.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 11.0 mp -83.57 -50.4 8.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.926 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 15.6 t -62.32 -45.16 94.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.843 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 35.1 mtp85 -48.48 -34.76 11.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.881 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.494 ' N ' ' OD1' ' A' ' 39' ' ' ASP . 0.2 OUTLIER -90.86 -63.48 1.26 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.438 ' O ' ' C ' ' A' ' 41' ' ' SER . 14.7 m-85 -37.6 -43.55 0.62 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 40' ' ' PHE . 60.0 p -35.54 -52.8 0.67 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.872 -179.802 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -72.35 125.59 27.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.911 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 44' ' ' VAL . . . -59.67 -44.67 96.69 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.508 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.418 ' C ' ' O ' ' A' ' 43' ' ' GLY . 78.9 t -35.79 -46.25 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.825 0.345 . . . . 0.0 111.1 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.479 HD22 ' HB3' ' A' ' 39' ' ' ASP . 59.5 tp -64.92 -50.19 67.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 96.2 t -47.27 -51.19 6.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.161 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.702 ' HA ' HD12 ' A' ' 50' ' ' ILE . . . -45.72 -48.79 15.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.095 179.823 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -46.0 -40.74 10.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.525 HG13 HD13 ' A' ' 27' ' ' ILE . 72.4 t -58.83 -36.76 62.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.152 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.702 HD12 ' HA ' ' A' ' 47' ' ' ALA . 9.8 mt -73.87 -39.26 51.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.151 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.599 ' HZ2' ' HB3' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -40.14 -54.34 2.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.853 179.859 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.424 ' HA ' ' HZ3' ' A' ' 51' ' ' LYS . 62.3 t80 -43.11 -37.86 2.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.924 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 55.5 m-85 -86.85 -39.77 15.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.911 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.438 ' HA ' ' HD2' ' A' ' 55' ' ' PRO . 62.8 m-85 -144.75 104.97 4.55 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.62 0.724 . . . . 0.0 110.875 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.438 ' HD2' ' HA ' ' A' ' 54' ' ' PHE . 53.6 Cg_endo -69.79 -29.43 23.72 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.663 2.242 . . . . 0.0 112.355 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.2 mtpp -71.35 -52.69 17.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.899 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 49.7 mmm -41.43 -52.18 3.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 39.1 t -68.43 129.22 32.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.182 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -132.19 86.03 2.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.484 ' O ' ' N ' ' A' ' 62' ' ' ASN . 9.7 mmt -65.51 -39.43 91.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.401 ' C ' ' O ' ' A' ' 60' ' ' MET . 41.8 m80 -38.02 -27.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.484 ' N ' ' O ' ' A' ' 60' ' ' MET . 17.5 m120 -103.5 -64.4 1.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -50.73 141.93 12.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.919 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 16.9 t -143.95 133.01 11.35 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.636 0.732 . . . . 0.0 111.114 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 122.88 9.55 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.705 2.27 . . . . 0.0 112.322 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -113.49 171.78 7.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.111 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -123.59 14.35 9.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.95 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 69' ' ' LEU . 52.3 m -122.87 115.98 22.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.827 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.424 ' C ' ' O ' ' A' ' 68' ' ' SER . 38.8 tp -35.89 -59.7 0.57 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.931 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.47 ' HG3' ' N ' ' A' ' 71' ' ' GLN . 5.8 pt20 -41.04 -52.38 3.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.47 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 41.1 tp60 -60.37 -52.72 64.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 10.7 mmmm -42.9 -65.17 0.51 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.764 HD21 ' HA ' ' A' ' 97' ' ' ARG . 18.3 mt -43.73 -44.23 6.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.945 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.8 t -51.21 -56.39 13.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -54.15 -56.67 15.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.888 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.435 ' CZ2' HG21 ' A' ' 99' ' ' ILE . 32.6 m95 -42.87 -42.06 3.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -51.79 -41.94 52.02 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.462 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -68.92 -54.08 17.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.79 0.329 . . . . 0.0 110.847 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 5.7 tp -53.39 -18.09 2.36 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.597 ' HA ' HD12 ' A' ' 84' ' ' LEU . 31.9 t-20 -76.2 -43.66 41.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 70.6 mtp180 -93.67 2.67 56.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 16.3 mmtt -111.33 -30.37 7.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 77.6 t -117.92 -74.4 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.123 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.597 HD12 ' HA ' ' A' ' 80' ' ' ASN . 38.9 mt -38.64 -52.94 1.65 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.1 mtpm? -56.37 -44.2 79.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 26.7 mmt85 -65.34 -20.49 66.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 12.9 mt -105.68 27.54 8.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 47.48 35.48 4.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -114.64 148.35 38.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 90.0 p -136.47 141.05 43.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 10.5 t -138.43 131.81 16.38 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.634 0.73 . . . . 0.0 111.106 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.645 ' HG2' HG23 ' A' ' 95' ' ' VAL . 53.6 Cg_endo -69.79 152.88 69.28 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.641 2.228 . . . . 0.0 112.354 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -64.11 -23.81 67.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.853 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -68.55 -34.43 75.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.645 HG23 ' HG2' ' A' ' 92' ' ' PRO . 39.6 t -75.67 -41.95 41.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.101 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.689 ' HA ' HD12 ' A' ' 99' ' ' ILE . 8.3 mtm -57.39 -44.38 84.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.764 ' HA ' HD21 ' A' ' 73' ' ' LEU . 32.1 mtm180 -53.92 -46.96 71.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.901 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.728 ' HB2' HG11 ' A' ' 106' ' ' VAL . 32.8 mttm -58.83 -46.73 87.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.689 HD12 ' HA ' ' A' ' 96' ' ' MET . 43.9 mt -53.25 -60.22 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.163 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -56.35 -19.24 13.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.059 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -90.25 21.8 3.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.91 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 13.3 p 42.98 41.96 2.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -91.34 114.31 61.28 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.553 0.692 . . . . 0.0 111.129 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 138.02 36.93 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.64 2.227 . . . . 0.0 112.324 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 97.95 -2.59 60.05 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.474 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.728 HG11 ' HB2' ' A' ' 98' ' ' LYS . 21.1 t -106.33 -66.08 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.896 0.379 . . . . 0.0 111.163 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.413 HG13 ' N ' ' A' ' 108' ' ' GLU . 7.1 p -49.52 -41.02 15.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.098 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.48 ' HA ' HD12 ' A' ' 111' ' ' LEU . 15.5 mp0 -52.64 -49.74 64.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 34.1 mt -47.74 -20.82 0.31 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.941 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 2.5 t -98.6 -28.59 3.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.126 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.48 HD12 ' HA ' ' A' ' 108' ' ' GLU . 50.8 mt -72.17 -38.47 69.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.527 ' N ' ' HD2' ' A' ' 113' ' ' PRO . 3.5 mt -51.91 -57.93 13.06 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.61 0.719 . . . . 0.0 111.154 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 112' ' ' ILE . 53.5 Cg_endo -69.79 -50.17 0.49 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.656 2.238 . . . . 0.0 112.391 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 113' ' ' PRO . 6.7 tp -37.29 -61.75 0.56 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.471 ' CZ ' ' HB2' ' A' ' 23' ' ' TRP . 33.6 ttt180 -53.68 -47.81 70.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 -52.8 -43.92 66.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.906 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 29.8 mmm180 -67.3 -52.67 37.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.565 HD21 HG23 ' A' ' 50' ' ' ILE . 21.7 mt -41.01 -54.2 2.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.949 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -42.04 -61.84 1.06 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.871 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.457 ' O ' ' CG ' ' A' ' 124' ' ' ARG . 29.5 tt0 -45.91 -37.01 5.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 8.0 mmt180 -77.61 -32.6 53.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.888 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 51.1 tp60 -60.54 -73.11 0.1 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.883 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -49.33 -39.74 32.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.841 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.457 ' CG ' ' O ' ' A' ' 120' ' ' GLU . 11.5 mmt180 -51.99 136.2 29.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.879 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -92.81 171.45 8.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 18.2 mmmt -95.71 160.86 14.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 10.6 tm0? . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 179.933 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.3 p -114.24 144.15 43.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.88 0.371 . . . . 0.0 110.829 -179.685 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 m -156.93 136.65 12.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.73 100.99 0.19 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.491 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.9 m -97.5 175.75 6.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.918 0.39 . . . . 0.0 110.835 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.6 p -131.76 143.73 50.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.87 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.54 120.83 0.64 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.448 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -111.33 140.99 45.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.813 0.339 . . . . 0.0 110.905 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -147.8 171.51 15.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.122 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.0 m -129.28 112.8 14.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.843 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 23.1 p -158.5 162.88 37.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 92.8 t -102.19 138.58 25.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.127 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.426 ' O ' ' N ' ' A' ' 16' ' ' ALA . 14.1 m-20 -154.13 168.29 26.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 13' ' ' ASP . 55.6 mt-10 -37.12 -36.26 0.13 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.901 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -64.54 -49.1 72.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.885 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -40.06 -44.54 1.79 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.094 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.3 mt -52.64 -59.71 4.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.966 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -45.81 -54.39 8.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 81.2 mm-40 -42.11 -48.89 4.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.425 HD21 ' HG3' ' A' ' 108' ' ' GLU . 6.9 tp -63.6 -41.14 98.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.935 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -61.55 -52.79 62.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.926 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 15.8 mt -56.5 -44.58 80.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.966 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 11.7 t90 -46.24 -35.96 5.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 59.1 t -66.53 -55.85 16.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.148 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -49.85 -43.31 48.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.847 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -43.21 -36.74 1.85 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.859 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.495 ' CG2' ' HD2' ' A' ' 28' ' ' PRO . 8.5 mt -75.54 136.82 71.05 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.662 0.744 . . . . 0.0 111.087 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.495 ' HD2' ' CG2' ' A' ' 27' ' ' ILE . 53.7 Cg_endo -69.79 8.73 0.71 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.648 2.232 . . . . 0.0 112.346 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.495 ' HG ' ' CG2' ' A' ' 27' ' ' ILE . 29.0 mt -29.61 101.41 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.911 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 31' ' ' ARG . 5.3 t -37.49 -51.49 1.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 30' ' ' SER . 20.8 ttt180 -35.44 136.53 0.44 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.597 0.713 . . . . 0.0 110.846 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -167.49 0.23 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.683 2.255 . . . . 0.0 112.347 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.465 ' CD ' ' N ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -97.71 133.66 41.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 179.93 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' A' ' 35' ' ' ASN . 10.3 ttm180 -174.82 171.85 3.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.837 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.444 ' C ' ' O ' ' A' ' 34' ' ' ARG . 4.5 t-20 -34.95 115.25 0.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.896 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.4 tp -66.64 -49.41 66.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.8 t -44.16 -48.16 9.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.842 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.406 ' O ' ' CB ' ' A' ' 41' ' ' SER . 3.6 tmm_? -73.21 -60.27 2.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.895 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -38.59 -61.15 0.74 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.562 ' HA ' HD23 ' A' ' 45' ' ' LEU . 7.4 m-85 -60.31 -38.62 84.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.844 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 40' ' ' PHE . 7.1 t -34.4 -37.7 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.887 -179.783 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.413 ' N ' ' O ' ' A' ' 40' ' ' PHE . 0.9 OUTLIER -84.62 97.86 9.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.855 179.941 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 44' ' ' VAL . . . -38.87 -42.89 1.61 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.499 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.69 HG13 ' CE ' ' A' ' 60' ' ' MET . 54.0 t -35.87 -40.54 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.804 0.335 . . . . 0.0 111.111 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.562 HD23 ' HA ' ' A' ' 40' ' ' PHE . 19.2 tp -73.31 -53.62 10.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 88.8 t -39.36 -43.97 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.167 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.468 ' HA ' HD12 ' A' ' 50' ' ' ILE . . . -58.12 -43.29 87.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.106 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -54.36 -50.92 66.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.907 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.467 HG13 HD13 ' A' ' 27' ' ' ILE . 97.4 t -46.87 -47.19 8.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.139 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.468 HD12 ' HA ' ' A' ' 47' ' ' ALA . 59.4 mt -52.02 -41.31 31.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.142 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.455 ' HA ' ' CG2' ' A' ' 58' ' ' VAL . 0.9 OUTLIER -38.73 -58.08 1.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.926 179.845 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.419 ' C ' ' O ' ' A' ' 51' ' ' LYS . 21.8 t80 -36.02 -54.57 0.77 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.527 ' CD2' ' HB3' ' A' ' 118' ' ' LEU . 51.9 m-85 -74.68 -59.1 2.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.927 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -135.16 116.84 12.33 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.64 0.733 . . . . 0.0 110.889 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -39.45 6.38 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.657 2.238 . . . . 0.0 112.331 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.9 ptpp? -63.3 -51.43 66.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.912 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.421 ' O ' ' C ' ' A' ' 58' ' ' VAL . 53.5 mmm -49.87 -43.68 49.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.541 HG12 ' H ' ' A' ' 60' ' ' MET . 55.1 t -34.59 -71.91 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.108 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 45.83 49.63 11.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.69 ' CE ' HG13 ' A' ' 44' ' ' VAL . 2.0 ppp? -83.52 -32.04 26.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.861 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.423 ' C ' ' O ' ' A' ' 60' ' ' MET . 13.8 t-80 -35.82 -60.25 0.54 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.859 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -39.82 -53.56 2.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -57.77 167.27 1.17 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.935 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.437 HG13 ' HD2' ' A' ' 65' ' ' PRO . 93.2 t -142.39 132.91 12.6 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.668 0.746 . . . . 0.0 111.112 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.437 ' HD2' HG13 ' A' ' 64' ' ' VAL . 53.5 Cg_endo -69.74 119.87 6.75 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.661 2.241 . . . . 0.0 112.317 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.435 ' CB ' ' HG3' ' A' ' 71' ' ' GLN . . . -124.77 169.95 11.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.118 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.6 p-10 -121.55 28.83 7.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.3 m -125.49 154.15 42.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.837 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 13.9 tp -63.92 -64.45 0.89 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.905 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.464 ' HG3' ' N ' ' A' ' 71' ' ' GLN . 29.2 pt20 -38.25 -48.55 1.3 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.464 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 17.4 mm100 -51.5 -60.61 2.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.411 ' HE2' ' CG ' ' A' ' 42' ' ' ASP . 24.9 mmtp -38.3 -65.87 0.31 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 13.4 mt -45.97 -46.86 16.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.953 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.6 t -49.83 -48.3 50.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 22.0 m-20 -68.39 -59.05 3.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.9 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 41.9 m95 -44.25 -46.41 9.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -54.09 -50.01 57.05 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.53 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 49.2 m-70 -61.14 -46.82 88.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.849 0.357 . . . . 0.0 110.884 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.6 tp -57.43 -23.87 52.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.551 ' CG ' HD12 ' A' ' 84' ' ' LEU . 36.8 t-20 -72.54 -28.15 62.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.846 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 32.1 mmt180 -108.55 1.93 21.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 18.7 mttp -113.99 -35.04 5.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.41 ' O ' ' C ' ' A' ' 84' ' ' LEU . 72.2 t -109.42 -72.27 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.107 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.551 HD12 ' CG ' ' A' ' 80' ' ' ASN . 73.2 mt -37.29 -55.61 1.01 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.937 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 22.9 tttm -44.37 -49.76 9.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.938 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 31.2 mmt180 -60.63 -30.25 69.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 13.1 mt -97.08 28.36 3.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 44.57 28.4 0.32 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -104.62 142.86 33.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 6.3 m -139.24 141.25 37.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.851 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.436 HG13 ' HD2' ' A' ' 92' ' ' PRO . 93.7 t -140.69 133.09 14.35 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.683 0.754 . . . . 0.0 111.104 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.729 ' HG2' HG23 ' A' ' 95' ' ' VAL . 53.7 Cg_endo -69.72 146.46 60.49 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 122.69 2.26 . . . . 0.0 112.39 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -50.93 -39.5 54.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.837 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 52.1 m-20 -50.34 -55.05 17.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.855 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.729 HG23 ' HG2' ' A' ' 92' ' ' PRO . 85.6 t -58.4 -39.23 73.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.15 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 15.0 mtm -63.41 -46.54 85.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 48.1 mtp180 -50.07 -36.51 29.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.63 ' HZ2' HG21 ' A' ' 106' ' ' VAL . 3.5 mtpm? -74.48 -46.36 40.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.918 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 72.9 mt -47.7 -55.33 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.116 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.72 -29.72 64.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.104 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -77.99 9.12 3.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 11.1 m 62.29 45.57 6.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -73.52 121.15 84.43 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.625 0.726 . . . . 0.0 111.094 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 104.62 1.34 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.658 2.239 . . . . 0.0 112.357 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 118.38 -57.55 0.54 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.498 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.63 HG21 ' HZ2' ' A' ' 98' ' ' LYS . 47.0 t -41.9 -53.71 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.839 0.352 . . . . 0.0 111.08 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.507 HG13 ' N ' ' A' ' 108' ' ' GLU . 14.8 p -59.46 -45.59 93.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.11 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.507 ' N ' HG13 ' A' ' 107' ' ' VAL . 7.5 mp0 -55.85 -48.23 75.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.816 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 56.7 mt -50.59 -18.52 0.7 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 24.9 t -100.33 -27.79 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 81.5 mt -73.69 -35.19 65.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.944 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.525 ' N ' ' HD2' ' A' ' 113' ' ' PRO . 3.7 mt -55.11 -57.86 17.75 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.62 0.724 . . . . 0.0 111.136 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.525 ' HD2' ' N ' ' A' ' 112' ' ' ILE . 54.1 Cg_endo -69.76 -37.34 9.31 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.715 2.277 . . . . 0.0 112.354 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 67.4 tp -44.0 -56.53 3.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.938 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.649 ' HA ' HD12 ' A' ' 118' ' ' LEU . 31.7 ttt180 -60.62 -49.05 79.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -46.97 -44.65 20.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 25.8 mmm180 -64.58 -54.97 23.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.851 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.649 HD12 ' HA ' ' A' ' 115' ' ' ARG . 27.8 mt -40.27 -41.86 1.41 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -68.24 -44.25 76.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -45.09 -43.02 9.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.407 ' O ' ' C ' ' A' ' 122' ' ' GLN . 30.3 mtp180 -68.06 -42.46 80.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.809 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 121' ' ' ARG . 29.2 tt0 -37.54 -52.15 1.18 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.89 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.458 ' O ' ' C ' ' A' ' 124' ' ' ARG . 16.2 ptt85 -83.62 -45.48 13.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.458 ' C ' ' O ' ' A' ' 123' ' ' ARG . 1.9 ttt-85 -33.66 -52.16 0.4 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.912 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 35.0 ptt85 -95.75 146.09 24.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.861 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 2.3 mtpm? -53.19 134.64 38.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.845 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 179.94 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.7 m -160.91 176.98 10.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.84 0.353 . . . . 0.0 110.84 -179.71 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 t -165.35 174.41 10.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.862 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.37 169.37 26.41 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.506 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.4 p -121.19 119.75 33.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.867 0.365 . . . . 0.0 110.844 -179.723 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.4 m -140.3 157.42 45.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.881 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.85 77.01 0.25 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.509 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 41.2 ttm -130.37 87.56 2.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.83 0.348 . . . . 0.0 110.89 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.39 131.52 50.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.08 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 21.0 t -167.04 145.98 5.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.836 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 49.7 m -45.41 169.35 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 84.3 t -51.4 144.69 2.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.058 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.4 p30 -147.82 168.91 20.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.822 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -45.47 -43.26 11.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -58.29 -46.73 85.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -43.62 -44.98 6.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.117 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.407 ' O ' ' C ' ' A' ' 18' ' ' HIS . 27.5 mt -58.22 -59.17 5.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.892 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.407 ' C ' ' O ' ' A' ' 17' ' ' LEU . 7.2 t-160 -36.07 -54.04 0.78 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.839 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 87.6 mm-40 -38.71 -54.22 1.59 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.429 ' CD2' ' HG3' ' A' ' 108' ' ' GLU . 3.6 tp -60.08 -42.52 94.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -57.15 -53.04 62.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.913 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 64.0 mt -53.43 -54.83 31.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.941 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.516 ' CH2' ' HB3' ' A' ' 115' ' ' ARG . 5.5 t90 -39.94 -38.11 0.66 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.438 ' O ' ' C ' ' A' ' 25' ' ' ASP . 84.5 t -58.06 -57.7 9.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.121 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 24' ' ' VAL . 15.5 t0 -34.44 -52.49 0.49 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.852 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -43.46 -56.45 3.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 96.6 mt -69.4 123.55 88.62 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.632 0.73 . . . . 0.0 111.135 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 117.86 5.34 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.662 2.241 . . . . 0.0 112.383 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 14.9 mt -133.21 123.4 25.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.941 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 59.9 m -77.11 92.09 3.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.828 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 11.0 ptt180 -147.71 148.68 31.34 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.594 0.711 . . . . 0.0 110.861 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 143.86 52.13 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.733 2.289 . . . . 0.0 112.332 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.61 53.36 1.64 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.1 mmm180 -111.42 -46.14 3.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.438 ' OD1' ' NH2' ' A' ' 38' ' ' ARG . 8.3 m120 -139.6 118.77 12.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.404 ' C ' HD23 ' A' ' 36' ' ' LEU . 9.7 tt -80.26 -45.88 17.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.92 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 47.9 t -56.61 -49.12 75.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.85 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.438 ' NH2' ' OD1' ' A' ' 35' ' ' ASN . 4.4 mtm105 -68.01 -42.24 81.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.843 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 -53.77 -45.12 70.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.438 ' O ' ' C ' ' A' ' 41' ' ' SER . 11.4 m-85 -79.26 -48.3 14.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.846 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 40' ' ' PHE . 47.8 p -34.3 -38.69 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.901 -179.816 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -78.44 124.62 28.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.835 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -60.41 -37.87 93.86 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.453 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.536 HG13 ' CE ' ' A' ' 60' ' ' MET . 54.8 t -40.43 -44.23 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.901 0.381 . . . . 0.0 111.146 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 30.6 tp -67.76 -49.39 62.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.407 HG21 ' CH2' ' A' ' 76' ' ' TRP . 81.1 t -48.3 -33.8 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.124 179.832 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.501 ' HB1' HG13 ' A' ' 58' ' ' VAL . . . -61.92 -50.12 73.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.122 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -48.62 -47.99 39.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.853 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 86.1 t -48.27 -43.05 11.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.119 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.408 ' O ' ' C ' ' A' ' 51' ' ' LYS . 49.6 mt -63.79 -39.74 86.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.131 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.667 ' HD2' HG21 ' A' ' 58' ' ' VAL . 24.1 tptt -36.19 -58.29 0.68 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.911 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.417 ' C ' ' CD1' ' A' ' 52' ' ' PHE . 9.5 t80 -39.36 -46.1 1.56 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.516 ' CG ' ' HB3' ' A' ' 118' ' ' LEU . 90.1 m-85 -86.06 -65.65 0.99 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.92 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.403 ' HA ' ' HD2' ' A' ' 55' ' ' PRO . 57.6 m-85 -124.08 105.39 31.77 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.681 0.753 . . . . 0.0 110.869 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 54' ' ' PHE . 53.5 Cg_endo -69.76 -44.37 2.12 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.661 2.241 . . . . 0.0 112.303 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.401 ' HG3' ' N ' ' A' ' 57' ' ' MET . 10.1 ptpp? -56.89 -45.02 82.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.845 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.422 ' O ' ' C ' ' A' ' 58' ' ' VAL . 39.4 mmm -56.64 -43.37 80.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.9 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.667 HG21 ' HD2' ' A' ' 51' ' ' LYS . 80.9 t -36.05 -62.41 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.114 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 55.89 45.25 24.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.935 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.536 ' CE ' HG13 ' A' ' 44' ' ' VAL . 0.0 OUTLIER -63.17 -50.41 70.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -44.18 -33.36 1.51 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -67.67 -54.15 21.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.918 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.504 ' CZ ' HD12 ' A' ' 79' ' ' LEU . 62.5 m-85 -75.74 165.72 24.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 73.7 t -146.75 130.18 8.22 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.658 0.742 . . . . 0.0 111.083 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 150.84 68.84 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.691 2.26 . . . . 0.0 112.346 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.419 ' HB2' ' HG2' ' A' ' 71' ' ' GLN . . . -149.93 177.64 9.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.062 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -96.91 -47.94 5.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.4 t -67.92 160.44 28.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.444 ' O ' ' C ' ' A' ' 70' ' ' GLN . 27.0 mt -75.92 -44.72 38.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.899 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.444 ' C ' ' O ' ' A' ' 69' ' ' LEU . 82.4 mt-30 -34.76 -49.91 0.44 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.419 ' HG2' ' HB2' ' A' ' 66' ' ' ALA . 47.0 tp60 -65.47 -55.85 15.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 7.6 mmpt? -38.14 -59.62 0.84 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.904 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.458 ' HG ' ' CB ' ' A' ' 100' ' ' ALA . 17.1 mt -55.51 -49.51 72.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.914 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 32.4 t -44.5 -51.75 8.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.878 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -61.89 -53.13 60.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.407 ' CH2' HG21 ' A' ' 46' ' ' VAL . 38.8 m95 -47.6 -50.47 24.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.903 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -49.81 -53.28 22.52 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.48 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.498 ' O ' ' CG ' ' A' ' 82' ' ' LYS . 19.6 m-70 -58.1 -32.3 67.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.802 0.334 . . . . 0.0 110.824 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.504 HD12 ' CZ ' ' A' ' 63' ' ' TYR . 2.2 tp -67.33 -23.77 65.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.946 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.498 ' CG ' HD12 ' A' ' 84' ' ' LEU . 36.0 t-20 -72.77 -29.47 63.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 57.0 mtp180 -109.85 2.58 19.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.835 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.498 ' CG ' ' O ' ' A' ' 78' ' ' HIS . 5.2 mmpt? -114.01 -28.71 7.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.907 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.444 ' O ' ' C ' ' A' ' 84' ' ' LEU . 60.7 t -123.0 -70.01 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.106 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.498 HD12 ' CG ' ' A' ' 80' ' ' ASN . 45.5 mt -34.56 -61.67 0.38 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.954 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 56.9 tttt -41.22 -55.41 2.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.94 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 16.9 mmt180 -48.83 -35.02 13.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 10.3 mt -98.2 31.31 2.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 7.1 m120 40.15 36.65 0.33 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.879 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -105.49 139.19 40.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 17.1 m -130.3 139.23 50.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.841 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 93.5 t -143.52 128.08 9.55 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.626 0.727 . . . . 0.0 111.124 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.819 ' HG2' HG23 ' A' ' 95' ' ' VAL . 53.0 Cg_endo -69.81 139.72 40.73 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.726 2.284 . . . . 0.0 112.308 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -42.22 -41.49 2.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -48.0 -54.01 14.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.882 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.819 HG23 ' HG2' ' A' ' 92' ' ' PRO . 91.3 t -56.21 -43.54 76.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.168 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.426 ' HA ' HD12 ' A' ' 99' ' ' ILE . 5.8 mtt -58.08 -46.0 86.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 44.6 mtm180 -48.1 -46.81 34.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.836 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.61 ' HB2' HG11 ' A' ' 106' ' ' VAL . 47.4 mttm -61.2 -57.7 11.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.872 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.426 HD12 ' HA ' ' A' ' 96' ' ' MET . 72.3 mt -41.14 -57.34 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.119 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.458 ' CB ' ' HG ' ' A' ' 73' ' ' LEU . . . -55.08 -28.01 49.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.084 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 98' ' ' LYS . 5.2 mm-40 -85.65 32.41 0.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' CYS . . . . . 0.435 ' C ' ' O ' ' A' ' 101' ' ' GLN . 29.3 p 35.35 50.26 0.53 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -89.73 119.9 69.47 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.551 0.691 . . . . 0.0 111.087 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 139.36 39.99 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.723 2.282 . . . . 0.0 112.337 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 88.3 -32.98 4.21 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.444 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.61 HG11 ' HB2' ' A' ' 98' ' ' LYS . 57.8 t -63.06 -64.3 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.849 0.357 . . . . 0.0 111.182 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 9.6 p -56.8 -32.21 37.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.096 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.429 ' HG3' ' CD2' ' A' ' 20' ' ' LEU . 8.4 mp0 -56.82 -46.37 81.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 16.7 mt -49.81 -29.12 7.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.953 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 90.3 t -94.87 -24.6 4.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.139 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 67.7 mt -69.61 -41.17 76.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.535 ' N ' ' HD2' ' A' ' 113' ' ' PRO . 4.3 mt -52.61 -57.6 15.13 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.64 0.733 . . . . 0.0 111.132 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.535 ' HD2' ' N ' ' A' ' 112' ' ' ILE . 53.9 Cg_endo -69.8 -24.47 29.48 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.678 2.252 . . . . 0.0 112.362 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 14.1 tp -55.01 -70.76 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.677 ' HA ' HD12 ' A' ' 118' ' ' LEU . 12.0 ptt85 -46.4 -48.55 18.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 36.3 mm-40 -44.07 -53.08 6.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.907 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -63.87 -44.96 91.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.677 HD12 ' HA ' ' A' ' 115' ' ' ARG . 79.5 mt -49.33 -55.33 13.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -68.3 -40.99 81.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -47.3 -49.65 23.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 41.7 mtp85 -70.66 -46.23 63.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.842 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -38.24 -69.73 0.11 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 3.7 ptm180 -53.67 174.49 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.876 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 41.9 mtt85 -154.34 171.83 18.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.848 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 21.4 mmt180 -62.16 161.64 10.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.92 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 127' ' ' GLN . 41.4 mmtt -133.81 176.68 8.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 127' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 126' ' ' LYS . 24.2 tt0 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.969 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.8 t -139.03 155.31 48.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.866 0.365 . . . . 0.0 110.843 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.7 p -124.3 158.57 32.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.865 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -106.19 -141.94 10.66 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.459 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -99.42 106.48 18.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.908 0.385 . . . . 0.0 110.835 -179.704 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 t -71.73 -44.4 64.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.877 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.5 -172.99 41.76 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.475 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -132.19 175.73 9.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.792 0.33 . . . . 0.0 110.865 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -133.31 171.85 13.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.048 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 34.3 t -146.43 122.63 10.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.8 m -170.92 155.21 4.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.838 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.621 ' O ' HG12 ' A' ' 12' ' ' VAL . 22.0 t 68.31 36.85 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.1 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.445 ' O ' ' C ' ' A' ' 14' ' ' GLU . 7.1 m-20 -56.28 168.37 0.54 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.906 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 13' ' ' ASP . 2.6 mp0 -34.72 -50.65 0.47 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -48.71 -51.24 29.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.865 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.467 ' CB ' ' HA ' ' A' ' 12' ' ' VAL . . . -59.76 -47.66 84.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.071 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.447 ' O ' ' C ' ' A' ' 18' ' ' HIS . 44.6 mt -55.22 -56.46 19.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.936 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.447 ' C ' ' O ' ' A' ' 17' ' ' LEU . 33.0 t60 -34.7 -57.16 0.53 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.83 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.428 ' C ' ' O ' ' A' ' 18' ' ' HIS . 61.2 mm-40 -35.68 -50.09 0.61 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.526 HD12 ' HE3' ' A' ' 23' ' ' TRP . 4.2 tp -64.89 -52.58 55.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.926 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.713 ' CE2' HD13 ' A' ' 36' ' ' LEU . 13.2 m-85 -44.52 -39.44 4.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.948 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 33.6 mt -63.69 -50.55 68.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.907 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.526 ' HE3' HD12 ' A' ' 20' ' ' LEU . 17.0 t90 -55.49 -62.04 1.94 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.958 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 91.8 t -44.0 -48.27 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.15 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -45.87 -51.69 12.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.845 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -48.36 -54.11 15.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 86.6 mt -59.9 112.17 4.98 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.603 0.716 . . . . 0.0 111.148 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 112.73 3.15 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.662 2.242 . . . . 0.0 112.362 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 14.7 mt -128.19 122.87 32.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 26.8 t -65.76 91.37 0.13 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.826 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.437 ' NH1' ' HB3' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -173.43 143.98 1.07 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.636 0.731 . . . . 0.0 110.852 -179.947 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.497 ' O ' ' N ' ' A' ' 34' ' ' ARG . 53.6 Cg_endo -69.71 3.86 2.51 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.674 2.249 . . . . 0.0 112.374 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.487 ' C ' ' O ' ' A' ' 32' ' ' PRO . 0.0 OUTLIER 30.27 39.4 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 179.904 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.497 ' N ' ' O ' ' A' ' 32' ' ' PRO . 0.1 OUTLIER -46.78 -31.28 2.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.852 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.416 ' N ' ' HG2' ' A' ' 34' ' ' ARG . 19.3 m120 -155.2 121.17 5.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.713 HD13 ' CE2' ' A' ' 21' ' ' TYR . 7.9 tt -65.39 -32.46 74.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.7 t -75.95 -44.3 40.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.834 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.403 ' O ' ' C ' ' A' ' 39' ' ' ASP . 22.8 ttp180 -73.99 -63.76 1.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.831 ' OD1' HD22 ' A' ' 45' ' ' LEU . 13.0 t0 -37.34 -58.62 0.82 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.884 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.449 ' O ' ' C ' ' A' ' 41' ' ' SER . 12.0 m-85 -60.23 -44.91 94.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.449 ' C ' ' O ' ' A' ' 40' ' ' PHE . 11.8 t -34.41 -39.49 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.445 ' O ' ' C ' ' A' ' 43' ' ' GLY . 7.8 m-20 -79.36 88.47 4.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.845 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 42' ' ' ASP . . . -34.18 -43.72 0.35 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.515 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.406 ' C ' ' O ' ' A' ' 43' ' ' GLY . 86.2 t -36.83 -48.23 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.82 0.343 . . . . 0.0 111.076 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.831 HD22 ' OD1' ' A' ' 39' ' ' ASP . 7.0 tp -67.76 -47.95 67.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.901 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 87.3 t -39.83 -54.49 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.129 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.413 ' HB3' ' SD ' ' A' ' 60' ' ' MET . . . -40.67 -45.93 2.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.127 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -50.58 -47.93 57.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.852 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 84.3 t -46.22 -55.48 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.145 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.462 ' CD1' HG11 ' A' ' 83' ' ' VAL . 42.4 mt -47.84 -43.71 10.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.152 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.461 ' N ' HG21 ' A' ' 58' ' ' VAL . 0.1 OUTLIER -36.73 -59.91 0.65 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 179.851 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.402 ' C ' ' O ' ' A' ' 51' ' ' LYS . 24.7 t80 -36.94 -41.97 0.37 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.847 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -82.93 -59.2 2.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.933 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.428 ' CZ ' ' HB3' ' A' ' 121' ' ' ARG . 47.0 m-85 -131.09 114.59 16.29 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.634 0.73 . . . . 0.0 110.91 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -50.6 0.46 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.696 2.264 . . . . 0.0 112.357 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 57' ' ' MET . 51.4 mttp -54.65 -61.72 2.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.422 ' C ' ' O ' ' A' ' 56' ' ' LYS . 39.3 mmm -36.09 -44.34 0.38 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.926 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.461 HG21 ' N ' ' A' ' 51' ' ' LYS . 91.5 t -72.58 102.26 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.116 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -104.27 55.96 0.72 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.413 ' SD ' ' HB3' ' A' ' 47' ' ' ALA . 79.1 mmm -57.62 -174.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 12.9 t-80 71.78 25.01 3.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.874 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.401 ' OD1' ' C ' ' A' ' 62' ' ' ASN . 0.9 OUTLIER -133.1 -38.17 0.97 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 -179.924 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.442 ' OH ' ' N ' ' A' ' 79' ' ' LEU . 14.2 m-85 -69.4 173.63 5.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 71.7 t -137.57 127.12 15.23 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.63 0.729 . . . . 0.0 111.147 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 155.89 64.93 Favored 'Trans proline' 0 N--CA 1.465 -0.159 0 C-N-CA 122.749 2.299 . . . . 0.0 112.362 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -165.49 179.61 6.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.1 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -129.2 -40.44 1.47 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 34.0 m -53.23 177.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.847 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.766 HD11 ' HG2' ' A' ' 101' ' ' GLN . 17.3 tp -89.08 -58.07 2.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.921 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -40.31 -46.24 2.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.419 ' O ' ' C ' ' A' ' 72' ' ' LYS . 34.9 tp60 -62.55 -59.48 4.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -36.07 -67.66 0.16 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.77 HD21 ' HA ' ' A' ' 97' ' ' ARG . 14.4 mt -41.61 -42.35 2.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.902 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.4 t -53.19 -50.85 63.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.84 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -60.96 -58.94 6.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.499 ' CZ2' HG21 ' A' ' 99' ' ' ILE . 33.3 m95 -48.81 -52.42 24.14 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -47.73 -46.95 24.74 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.455 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 29.5 m170 -65.83 -56.17 13.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.82 0.343 . . . . 0.0 110.85 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.442 ' N ' ' OH ' ' A' ' 63' ' ' TYR . 2.1 tp -52.08 -17.19 0.96 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.92 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.581 ' HA ' HD12 ' A' ' 84' ' ' LEU . 29.7 t30 -74.19 -41.2 61.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 27.4 mtm180 -106.21 -3.87 20.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 18.9 mmmt -99.34 -37.79 9.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.462 HG11 ' CD1' ' A' ' 50' ' ' ILE . 64.0 t -113.07 -75.19 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.136 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.581 HD12 ' HA ' ' A' ' 80' ' ' ASN . 83.1 mt -37.02 -48.26 0.77 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.948 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 84' ' ' LEU . 0.2 OUTLIER -37.03 -50.93 0.92 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.926 179.814 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 13.4 mmt180 -59.32 -37.96 79.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.489 ' N ' ' O ' ' A' ' 84' ' ' LEU . 20.4 mt -84.32 30.14 0.55 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.914 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 8.9 m120 37.03 38.64 0.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -114.8 124.83 52.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 46.3 m -120.38 141.67 49.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.844 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 95.1 t -136.57 128.48 17.08 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.647 0.737 . . . . 0.0 111.14 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 143.44 50.88 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.7 2.266 . . . . 0.0 112.378 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -43.62 -33.83 1.29 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.91 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -53.06 -60.64 3.03 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.817 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 76.1 t -61.03 -39.89 83.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.169 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 10.2 mtm -57.69 -47.83 81.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.87 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.77 ' HA ' HD21 ' A' ' 73' ' ' LEU . 83.6 mtt180 -49.57 -61.16 2.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' A' ' 101' ' ' GLN . 30.9 mttm -48.39 -57.24 6.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.499 HG21 ' CZ2' ' A' ' 76' ' ' TRP . 94.6 mt -41.43 -58.74 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.4 -26.17 60.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.123 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.766 ' HG2' HD11 ' A' ' 69' ' ' LEU . 26.8 mt-30 -87.28 31.37 0.73 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' CYS . . . . . 0.446 ' C ' ' O ' ' A' ' 101' ' ' GLN . 22.0 t 34.43 41.82 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.451 ' HB3' HG21 ' A' ' 106' ' ' VAL . . . -71.2 143.99 89.12 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.523 0.677 . . . . 0.0 111.128 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.467 ' O ' HG23 ' A' ' 106' ' ' VAL . 53.8 Cg_endo -69.75 140.98 44.07 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.666 2.244 . . . . 0.0 112.358 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 44.07 60.52 3.47 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.502 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 104' ' ' PRO . 44.0 t -132.55 -64.43 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.89 0.376 . . . . 0.0 111.139 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 8.8 p -58.69 -32.86 47.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.132 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.43 ' HG3' ' CD2' ' A' ' 20' ' ' LEU . 15.1 mp0 -55.02 -45.8 75.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 11.1 mt -44.2 -30.89 0.85 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.912 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 48.6 t -92.88 -28.37 4.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.16 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 90.7 mt -70.71 -36.39 73.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.515 ' N ' ' HD2' ' A' ' 113' ' ' PRO . 3.7 mt -57.25 -58.0 21.03 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.629 0.728 . . . . 0.0 111.153 179.821 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.515 ' HD2' ' N ' ' A' ' 112' ' ' ILE . 54.2 Cg_endo -69.76 -21.87 32.87 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.678 2.252 . . . . 0.0 112.348 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 17.7 tp -51.36 -69.87 0.1 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.912 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.449 ' HA ' HD12 ' A' ' 118' ' ' LEU . 23.7 ptt180 -47.47 -48.0 27.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -45.56 -61.12 1.82 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 15.2 mmp_? -57.79 -50.72 72.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.461 HD23 HD21 ' A' ' 87' ' ' LEU . 34.5 mt -47.56 -41.76 22.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.947 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -54.78 -49.01 71.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -63.21 -35.59 80.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.428 ' HB3' ' CZ ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -64.15 -29.79 70.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.832 -179.935 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 18.8 tp60 -54.81 -47.45 74.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 4.6 ptm180 -90.98 -44.49 9.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.885 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 22.2 mtm180 64.06 48.7 2.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.87 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? 57.94 41.28 24.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 38.8 mttm -139.44 126.59 21.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.897 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 11.1 tm0? . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.893 179.951 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.0 m -97.77 81.09 2.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.903 0.382 . . . . 0.0 110.854 -179.7 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.1 m -165.02 163.58 20.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.864 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.56 78.39 0.27 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.515 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.2 p -137.4 168.64 19.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.89 0.376 . . . . 0.0 110.839 -179.708 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.5 p -48.49 168.94 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.839 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -48.47 171.43 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.441 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.434 ' O ' ' C ' ' A' ' 9' ' ' ALA . 6.3 ttt -174.64 138.8 0.52 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.787 0.327 . . . . 0.0 110.899 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 8' ' ' MET . . . -34.67 147.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.117 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.0 m -148.07 156.2 42.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.876 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 49.7 m -84.12 175.65 9.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.911 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 88.5 t -67.4 143.69 15.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.094 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -135.14 171.22 14.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.858 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -51.36 -43.78 61.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -60.94 -47.85 84.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -48.32 -62.47 1.47 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.123 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 18' ' ' HIS . 19.3 mt -43.24 -51.22 6.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.873 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.443 ' C ' ' O ' ' A' ' 17' ' ' LEU . 5.6 t-160 -34.44 -59.18 0.46 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.638 ' HA ' HD12 ' A' ' 22' ' ' LEU . 1.5 mp0 -38.28 -53.72 1.46 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.938 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.631 HD12 ' HE3' ' A' ' 23' ' ' TRP . 9.0 tp -60.93 -54.99 38.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.935 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -47.6 -40.2 18.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.638 HD12 ' HA ' ' A' ' 19' ' ' GLN . 6.5 mt -66.78 -56.6 9.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.934 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.7 ' CD1' ' CZ ' ' A' ' 115' ' ' ARG . 7.5 t90 -40.6 -41.51 1.49 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 44.0 t -65.24 -47.14 88.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.184 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.412 ' C ' ' OD1' ' A' ' 25' ' ' ASP . 0.6 OUTLIER -54.61 -30.78 55.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.872 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -62.77 -53.58 52.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.67 HG23 ' HD2' ' A' ' 28' ' ' PRO . 59.9 mt -63.68 138.45 97.38 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.658 0.742 . . . . 0.0 111.167 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.67 ' HD2' HG23 ' A' ' 27' ' ' ILE . 54.2 Cg_endo -69.66 108.51 2.08 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.711 2.274 . . . . 0.0 112.414 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' ' 31' ' ' ARG . 36.0 mt -134.94 96.2 3.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.989 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.1 m -63.1 77.73 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.837 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.424 ' N ' ' O ' ' A' ' 29' ' ' LEU . 2.5 mmp_? -135.24 146.12 56.82 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.629 0.728 . . . . 0.0 110.878 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -167.33 0.22 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.726 2.284 . . . . 0.0 112.359 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.59 51.85 2.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.868 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -100.42 -36.17 9.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.867 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 30.4 m120 -155.63 111.72 3.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.932 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.518 HD23 ' C ' ' A' ' 36' ' ' LEU . 8.6 tt -74.28 -62.92 1.35 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.943 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.441 ' N ' HD23 ' A' ' 36' ' ' LEU . 14.8 t -43.54 -50.0 7.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.447 ' O ' ' N ' ' A' ' 41' ' ' SER . 57.2 ttp85 -61.07 -62.48 1.82 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.465 ' O ' HD23 ' A' ' 45' ' ' LEU . 21.8 t70 -36.09 -43.75 0.35 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -76.06 -40.31 53.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 38' ' ' ARG . 13.4 m -43.68 -24.29 0.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.82 -179.795 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.26 94.15 6.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -41.43 -34.43 1.07 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.49 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 62.5 t -53.43 -51.95 36.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.882 0.372 . . . . 0.0 111.158 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.465 HD23 ' O ' ' A' ' 39' ' ' ASP . 34.7 tp -59.55 -38.78 81.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.91 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 88.7 t -56.7 -30.73 33.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.123 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.444 ' CB ' ' HE3' ' A' ' 60' ' ' MET . . . -64.69 -40.79 95.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.131 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 91.5 mt-10 -55.45 -46.59 76.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 24.5 t -50.48 -34.35 11.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.132 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 48.5 mt -74.6 -32.69 30.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.118 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 24.4 tptt -47.89 -46.36 31.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.904 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -52.89 -33.33 49.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.751 ' CE1' HD13 ' A' ' 118' ' ' LEU . 80.7 m-85 -88.41 -69.63 0.69 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.936 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -121.62 117.49 30.07 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.627 0.727 . . . . 0.0 110.879 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -13.6 34.81 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.684 2.256 . . . . 0.0 112.323 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.5 ptmt -94.75 -48.47 6.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 77.7 mmm -46.91 -35.79 6.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.409 ' CG1' ' HG2' ' A' ' 60' ' ' MET . 95.0 t -50.75 -63.34 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.116 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 59.33 49.79 8.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.444 ' HE3' ' CB ' ' A' ' 47' ' ' ALA . 7.3 mmt -84.17 61.29 6.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.878 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 17.4 m80 -119.5 -42.83 2.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.935 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.451 ' O ' HG23 ' A' ' 64' ' ' VAL . 0.7 OUTLIER -87.47 -52.05 5.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 -179.946 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 48.9 m-85 -44.83 147.58 0.63 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 62' ' ' ASN . 76.0 t -144.39 129.89 9.63 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.623 0.725 . . . . 0.0 111.116 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 107.84 1.94 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.696 2.264 . . . . 0.0 112.351 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -98.25 165.98 11.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.091 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 70.4 m-20 -100.17 -38.26 8.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.0 t -66.49 -176.24 0.44 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.447 HD22 ' HA ' ' A' ' 69' ' ' LEU . 1.5 tm? -92.88 -69.28 0.75 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.939 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.444 ' C ' ' O ' ' A' ' 69' ' ' LEU . 2.1 tm0? -34.49 -55.41 0.53 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 5.5 tm0? -42.77 -63.76 0.73 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -44.43 -55.3 5.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 15.5 mt -45.06 -42.16 8.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.928 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 9.8 t -55.75 -58.04 9.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.835 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -47.05 -56.97 5.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 45.5 m95 -43.59 -56.44 3.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -44.99 -37.97 5.75 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.512 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.479 ' CE1' ' HE2' ' A' ' 82' ' ' LYS . 3.2 t-160 -73.94 -40.95 62.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.804 0.335 . . . . 0.0 110.836 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 5.5 tp -63.75 -15.52 58.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.771 ' HA ' HD12 ' A' ' 84' ' ' LEU . 57.7 t-20 -81.91 -27.93 33.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 56.2 mtp180 -109.58 -5.37 15.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.479 ' HE2' ' CE1' ' A' ' 78' ' ' HIS . 15.2 mmtm -106.3 -37.46 6.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.426 ' O ' ' C ' ' A' ' 84' ' ' LEU . 87.4 t -112.02 -74.97 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.146 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.771 HD12 ' HA ' ' A' ' 80' ' ' ASN . 89.1 mt -34.87 -51.5 0.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -43.23 -56.25 3.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 179.816 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 14.6 mmm180 -57.34 -25.07 58.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.812 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.477 ' O ' ' CD ' ' A' ' 117' ' ' ARG . 15.9 mt -99.09 22.5 10.28 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.887 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 14.0 m-20 46.24 33.53 1.84 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.887 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -111.56 138.85 47.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.869 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.7 t -134.69 146.79 49.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 6.7 t -143.7 132.74 11.41 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.619 0.723 . . . . 0.0 111.134 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 -175.16 1.06 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.687 2.258 . . . . 0.0 112.365 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -83.31 -51.38 7.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -41.61 -41.34 2.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 42.9 t -68.26 -52.54 36.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.119 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 4.7 mtt -50.28 -41.56 50.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.93 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 54.5 mtp180 -58.69 -39.14 79.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 78.7 mttt -69.2 -53.62 19.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 66.3 mt -43.93 -63.93 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.099 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -56.82 -17.51 9.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.069 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 18.9 mm-40 -91.68 13.21 18.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.909 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 24.4 m 58.28 49.89 10.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.907 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -94.25 117.58 67.09 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.539 0.685 . . . . 0.0 111.07 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 143.61 51.15 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.635 2.224 . . . . 0.0 112.344 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 82.62 -13.88 39.26 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.487 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 90.9 t -83.99 -73.27 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.869 0.366 . . . . 0.0 111.159 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.405 HG13 ' N ' ' A' ' 108' ' ' GLU . 9.5 p -50.87 -39.58 19.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.155 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.521 ' HG3' HD21 ' A' ' 20' ' ' LEU . 8.0 mp0 -52.5 -48.09 66.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 33.4 mt -45.37 -24.16 0.27 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.934 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 74.9 t -91.95 -28.16 4.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.104 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 108' ' ' GLU . 95.2 mt -71.58 -40.59 69.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.537 ' N ' ' HD2' ' A' ' 113' ' ' PRO . 3.5 mt -50.77 -57.81 12.22 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.63 0.728 . . . . 0.0 111.128 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.537 ' HD2' ' N ' ' A' ' 112' ' ' ILE . 54.1 Cg_endo -69.77 -40.18 5.61 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.647 2.231 . . . . 0.0 112.342 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 25.3 tp -39.59 -54.25 2.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.7 ' CZ ' ' CD1' ' A' ' 23' ' ' TRP . 5.1 ttm180 -58.17 -59.36 5.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.935 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 115' ' ' ARG . 36.5 mt-30 -37.67 -51.57 1.23 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.477 ' CD ' ' O ' ' A' ' 87' ' ' LEU . 9.0 mtt-85 -64.04 -50.69 67.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.842 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.751 HD13 ' CE1' ' A' ' 53' ' ' TYR . 49.7 mt -51.1 -37.58 46.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.937 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -69.46 -32.92 72.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.946 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -77.63 -39.16 46.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 26.2 mmt-85 -61.81 -43.07 99.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 123' ' ' ARG . 10.9 tp60 -45.49 -33.86 2.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.423 ' NH1' ' HB2' ' A' ' 123' ' ' ARG . 0.5 OUTLIER -36.51 -42.32 0.34 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.865 -179.907 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 8.9 mpt_? -56.92 158.0 5.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.823 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -114.54 169.19 9.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.22 4.44 5.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.947 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.913 179.995 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 t -98.05 -49.8 4.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.884 0.373 . . . . 0.0 110.858 -179.729 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.6 t -168.51 173.86 7.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.889 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 41.41 43.72 3.81 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.462 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 86.4 p -56.18 161.82 2.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.855 0.36 . . . . 0.0 110.876 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 t -147.13 137.99 23.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.844 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.09 -122.45 0.64 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.502 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 44.9 tpp -101.38 158.67 15.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.799 0.333 . . . . 0.0 110.89 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -50.22 148.3 3.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.141 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 28.0 t -80.44 134.07 35.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.2 t -81.38 156.21 25.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.575 ' O ' HG12 ' A' ' 12' ' ' VAL . 18.7 t 61.95 37.74 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.096 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -46.67 173.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.851 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -51.35 -30.18 17.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -69.9 -49.48 51.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.889 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.461 ' CB ' ' HA ' ' A' ' 12' ' ' VAL . . . -44.26 -49.89 9.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.116 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 75.4 mt -61.32 -53.91 50.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 7.4 t-160 -41.39 -48.02 3.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 29.4 mm100 -45.39 -43.69 11.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.432 HD11 ' HB3' ' A' ' 111' ' ' LEU . 6.4 tp -70.95 -43.44 68.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -62.98 -21.86 66.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 81.2 mt -81.5 -34.56 31.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.94 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.418 ' CH2' HG11 ' A' ' 49' ' ' VAL . 20.5 t90 -58.73 -46.46 87.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.944 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 67.5 t -64.48 -27.34 42.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.106 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -47.75 -54.65 11.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.85 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 18.5 t30 -44.05 -33.94 1.61 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.884 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.477 ' CG2' ' HD2' ' A' ' 28' ' ' PRO . 3.1 mt -99.79 136.19 20.31 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.637 0.732 . . . . 0.0 111.157 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.477 ' HD2' ' CG2' ' A' ' 27' ' ' ILE . 54.2 Cg_endo -69.72 -91.59 0.01 OUTLIER 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.712 2.275 . . . . 0.0 112.35 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 26.9 mt 54.34 47.9 21.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.931 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 19.9 m -80.74 13.12 2.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.475 ' N ' ' HD2' ' A' ' 32' ' ' PRO . 39.0 mtt85 -41.86 -61.34 1.52 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.654 0.74 . . . . 0.0 110.889 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.475 ' HD2' ' N ' ' A' ' 31' ' ' ARG . 53.8 Cg_endo -69.77 -169.39 0.33 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.69 2.26 . . . . 0.0 112.362 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 56.7 mmtt -96.99 -176.16 3.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.9 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 20.9 mmt85 -38.18 -62.14 0.6 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.833 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -68.34 95.34 0.6 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.54 HD13 ' CD1' ' A' ' 40' ' ' PHE . 4.3 pp -75.99 -35.81 59.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.464 ' N ' HD12 ' A' ' 36' ' ' LEU . 21.0 t -46.46 -21.15 0.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.844 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 15.7 mtm180 -77.84 -43.78 29.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.846 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 40' ' ' PHE . 17.0 t0 -79.93 -57.22 3.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.88 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.54 ' CD1' HD13 ' A' ' 36' ' ' LEU . 9.5 m-85 -36.03 -40.36 0.2 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.859 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 40' ' ' PHE . 35.7 m -36.44 -60.18 0.6 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.836 -179.772 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -52.54 143.18 16.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -85.78 43.73 3.28 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.487 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 60.8 t -120.17 -66.38 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.862 0.363 . . . . 0.0 111.128 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 10.4 tp -52.75 -36.37 57.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 79.2 t -52.72 -39.53 31.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.111 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.51 -34.69 69.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.142 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -58.31 -47.51 83.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.46 HG13 ' CD1' ' A' ' 27' ' ' ILE . 84.9 t -48.15 -46.08 13.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.116 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.551 HG23 ' CD2' ' A' ' 118' ' ' LEU . 37.6 mt -62.7 -38.71 82.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.094 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.401 ' C ' ' HD2' ' A' ' 51' ' ' LYS . 0.5 OUTLIER -42.58 -54.61 3.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 179.86 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -39.32 -42.87 1.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.85 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 99.4 m-85 -86.98 -64.59 1.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.904 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.414 ' HA ' ' HD2' ' A' ' 55' ' ' PRO . 50.2 m-85 -112.93 89.17 13.08 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.666 0.746 . . . . 0.0 110.916 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 54' ' ' PHE . 53.9 Cg_endo -69.76 -2.53 10.32 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.729 2.286 . . . . 0.0 112.351 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 16.9 pttm -91.24 -52.94 4.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.937 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 18.3 mtm -47.9 -53.84 14.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.919 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 79.4 t -43.26 127.51 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.152 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -132.79 52.74 2.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.501 ' HE1' ' CB ' ' A' ' 63' ' ' TYR . 14.4 mmt -54.13 -14.98 1.25 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.835 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 60.5 m80 -44.83 -48.08 11.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.816 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.611 ' O ' HG23 ' A' ' 64' ' ' VAL . 8.0 p30 -88.5 -51.24 5.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.501 ' CB ' ' HE1' ' A' ' 60' ' ' MET . 71.4 m-85 -52.47 124.76 14.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.647 HG13 ' HD2' ' A' ' 65' ' ' PRO . 84.6 t -132.79 138.43 31.92 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.63 0.728 . . . . 0.0 111.15 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.647 ' HD2' HG13 ' A' ' 64' ' ' VAL . 53.9 Cg_endo -69.77 127.69 14.95 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.722 2.281 . . . . 0.0 112.311 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.419 ' CB ' ' HG2' ' A' ' 71' ' ' GLN . . . -129.96 173.93 10.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.06 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 58.7 m-20 -120.4 42.13 3.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 73.4 m -147.2 130.45 16.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 53.3 mt -48.55 -47.08 39.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.93 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -43.02 -51.76 5.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.419 ' HG2' ' CB ' ' A' ' 66' ' ' ALA . 55.4 tp60 -66.72 -51.25 58.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 42.8 mmtt -40.86 -61.94 0.89 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.624 HD21 ' HA ' ' A' ' 97' ' ' ARG . 19.1 mt -57.45 -50.13 74.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.937 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 34.0 t -42.45 -56.09 3.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 -54.21 -53.29 55.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 45.0 m95 -43.26 -62.86 0.93 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.892 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -41.36 -42.58 3.4 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.439 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 5.7 m170 -70.59 -40.46 73.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.809 0.338 . . . . 0.0 110.796 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 7.4 tp -69.29 -12.14 61.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.922 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.558 ' C ' HD21 ' A' ' 80' ' ' ASN . 0.2 OUTLIER -80.18 -33.08 38.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 179.919 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 44.8 mtt85 -105.06 -1.36 25.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 16.3 mttp -108.45 -30.06 8.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 67.7 t -115.22 -73.35 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.138 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 35.8 mt -41.96 -54.88 3.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 18.2 tttt -42.16 -42.68 3.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 21.4 mmt-85 -69.22 -36.16 76.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 16.6 mt -85.78 29.48 0.71 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.935 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 6.8 m120 42.74 25.87 0.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -100.64 174.84 5.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 30.4 m -165.55 129.97 2.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 15.8 t -128.15 132.99 24.66 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.61 0.719 . . . . 0.0 111.101 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 165.36 31.21 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.684 2.256 . . . . 0.0 112.362 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -77.7 -19.37 55.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.911 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -72.99 -32.93 65.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.849 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 18.7 t -80.82 -29.06 11.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.133 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.466 ' HA ' HD12 ' A' ' 99' ' ' ILE . 10.2 mtt -69.36 -49.7 53.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.889 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.624 ' HA ' HD21 ' A' ' 73' ' ' LEU . 15.5 ptt85 -47.35 -47.91 25.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.497 ' N ' ' CG ' ' A' ' 97' ' ' ARG . 32.1 mttm -55.84 -52.16 65.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.466 HD12 ' HA ' ' A' ' 96' ' ' MET . 54.5 mt -50.72 -55.94 5.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.132 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.85 -24.8 59.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.121 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 38.0 mm-40 -82.78 6.69 17.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.942 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 4.0 t 63.59 50.44 2.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -98.66 119.53 61.08 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.59 0.709 . . . . 0.0 111.15 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 131.42 21.23 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.676 2.251 . . . . 0.0 112.353 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 109.71 -63.88 0.27 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.49 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.5 t -43.17 -58.57 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.872 0.368 . . . . 0.0 111.149 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.568 HG13 ' N ' ' A' ' 108' ' ' GLU . 7.3 p -50.68 -50.26 23.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.144 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.568 ' N ' HG13 ' A' ' 107' ' ' VAL . 2.6 mp0 -51.72 -48.71 63.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.943 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 95.3 mt -51.0 -20.19 1.28 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.896 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 4.2 t -93.29 -26.7 4.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.116 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.432 ' HB3' HD11 ' A' ' 20' ' ' LEU . 91.1 mt -74.17 -37.38 64.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.535 ' N ' ' HD2' ' A' ' 113' ' ' PRO . 3.8 mt -55.63 -57.99 18.11 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.631 0.729 . . . . 0.0 111.085 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.535 ' HD2' ' N ' ' A' ' 112' ' ' ILE . 53.5 Cg_endo -69.75 -43.0 2.92 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.68 2.253 . . . . 0.0 112.316 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 4.6 tp -43.72 -50.49 7.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.425 ' C ' ' HD3' ' A' ' 115' ' ' ARG . 1.1 tmt_? -63.41 -44.62 94.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -53.76 -28.05 32.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -81.7 -57.6 3.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.863 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.551 ' CD2' HG23 ' A' ' 50' ' ' ILE . 21.2 mt -43.21 -45.61 5.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.958 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -61.94 -46.23 90.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -53.25 -50.13 65.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -59.49 -37.7 78.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -44.56 -68.2 0.22 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -64.48 -43.11 95.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.876 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 17.6 mtp180 -62.64 90.9 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -80.66 133.39 35.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.859 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -144.3 139.63 28.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 47.2 tt0 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 179.93 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.836 0.351 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.481 ' CD2' ' HG2' ' A' ' 108' ' ' GLU . 7.0 tp -77.33 -29.39 53.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 8.5 m-30 -72.82 -33.96 66.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.2 mt -78.78 -43.51 25.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.959 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 11.0 t90 -46.21 -47.88 17.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 63.4 t -56.52 -59.77 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.127 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -47.53 -46.25 27.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.873 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -47.29 -49.23 24.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.852 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 60.5 mt . . . . . 0 C--N 1.328 -0.334 0 CA-C-O 121.578 0.704 . . . . 0.0 111.14 179.919 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.6 t0 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.841 0.353 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.549 ' CE1' HD12 ' A' ' 45' ' ' LEU . 5.8 m-85 -39.8 -43.54 1.45 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.1 t -41.6 -43.67 2.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.928 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.496 ' CG ' ' N ' ' A' ' 43' ' ' GLY . 0.4 OUTLIER -49.03 -52.22 26.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.845 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.496 ' N ' ' CG ' ' A' ' 42' ' ' ASP . . . 114.22 -47.74 1.01 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.462 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.4 ' N ' ' OD2' ' A' ' 42' ' ' ASP . 61.8 t -56.06 -20.34 9.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.821 0.344 . . . . 0.0 111.103 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.549 HD12 ' CE1' ' A' ' 40' ' ' PHE . 0.7 OUTLIER -74.05 -32.7 63.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 37.6 t -65.57 -41.88 91.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.104 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.18 -27.74 68.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.133 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -69.97 -48.91 56.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.864 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 51.2 t -49.1 -41.87 14.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.123 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.403 ' O ' ' C ' ' A' ' 51' ' ' LYS . 28.8 mt -66.21 -45.23 90.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.13 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 50' ' ' ILE . 19.1 tptp -37.95 -40.82 0.5 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.938 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -58.47 -52.58 65.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 -73.97 -55.78 5.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.954 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -127.2 93.15 42.1 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.64 0.733 . . . . 0.0 110.903 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -36.54 10.5 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.726 2.284 . . . . 0.0 112.35 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.9 ptmm? -60.99 -49.74 76.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 19.4 mmm -48.52 -52.51 22.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 41.5 t -67.16 147.31 12.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.129 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -118.91 -41.5 2.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 22.2 mmt 48.5 46.51 20.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.909 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 25.6 t-80 -126.66 -30.02 2.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 28.6 m-80 -94.72 -50.61 5.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -58.51 139.78 55.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 89.1 t -134.53 131.16 20.23 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.641 0.734 . . . . 0.0 111.139 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 122.01 8.7 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.686 2.257 . . . . 0.0 112.36 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -133.72 178.07 7.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.089 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 26.0 p30 -126.38 38.88 4.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.8 t -139.2 129.99 26.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 31.6 tp -45.57 -48.97 14.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.932 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -41.43 -58.05 2.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.945 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 17.1 mm100 -66.4 -44.65 82.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 20.1 mmtp -44.6 -64.2 0.74 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 15.4 mt -56.43 -47.33 79.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.915 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.9 t -51.52 -35.42 40.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -74.22 -49.39 23.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.889 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 38.7 m95 -56.81 -48.59 77.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.936 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -43.85 -50.81 7.22 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.516 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -64.94 -49.26 71.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.812 0.339 . . . . 0.0 110.845 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.7 tp -53.92 -15.82 1.55 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.53 ' HA ' HD12 ' A' ' 84' ' ' LEU . 36.6 t-20 -84.3 -28.7 26.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 38.1 mtm180 -110.72 4.3 19.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.885 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 41.9 mmtt -118.32 -34.54 4.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 72.2 t -111.06 -67.45 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.151 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.53 HD12 ' HA ' ' A' ' 80' ' ' ASN . 85.4 mt -44.06 -57.13 3.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.957 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 84' ' ' LEU . 52.5 tttt -37.65 -58.07 0.92 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.906 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -50.84 -36.52 37.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 84' ' ' LEU . 8.8 mt -90.29 29.02 1.31 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.898 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 47.3 t30 40.82 25.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.9 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.44 ' N ' ' O ' ' A' ' 87' ' ' LEU . 14.9 t80 -98.78 132.91 43.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 46.1 m -129.84 147.87 51.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.881 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.632 HG13 ' HD2' ' A' ' 92' ' ' PRO . 94.0 t -152.12 137.54 11.09 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.618 0.723 . . . . 0.0 111.141 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.638 ' HG2' HG23 ' A' ' 95' ' ' VAL . 54.3 Cg_endo -69.73 161.3 46.44 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.739 2.293 . . . . 0.0 112.326 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -65.61 -43.45 89.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -48.14 -41.87 27.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.638 HG23 ' HG2' ' A' ' 92' ' ' PRO . 69.6 t -69.37 -41.85 80.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.144 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.517 ' HA ' HD12 ' A' ' 99' ' ' ILE . 11.9 mtm -60.08 -52.13 66.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.882 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 65.1 mtt-85 -41.2 -45.71 2.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.842 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.709 ' HB2' HG11 ' A' ' 106' ' ' VAL . 45.6 mttt -65.78 -44.98 84.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.922 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.582 HG23 ' HB ' ' A' ' 107' ' ' VAL . 82.7 mt -52.52 -59.18 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.134 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -55.6 -26.4 43.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.109 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 35.1 mm-40 -85.24 25.05 1.04 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 42.6 t 42.3 53.49 4.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -86.46 128.29 57.6 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.612 0.72 . . . . 0.0 111.103 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 128.12 15.58 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.71 2.273 . . . . 0.0 112.351 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 90.45 -38.43 3.22 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.504 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.709 HG11 ' HB2' ' A' ' 98' ' ' LYS . 58.1 t -58.01 -68.3 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.88 0.371 . . . . 0.0 111.155 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.582 ' HB ' HG23 ' A' ' 99' ' ' ILE . 2.1 p -57.75 -31.67 40.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.11 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.481 ' HG2' ' CD2' ' A' ' 20' ' ' LEU . 1.6 tm-20 -64.62 -37.61 88.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 38.1 mt -58.53 -13.94 6.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 53.6 t -104.85 -24.18 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.123 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 81.7 mt -69.73 -41.32 75.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.948 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.532 ' N ' ' HD2' ' A' ' 113' ' ' PRO . 3.8 mt -55.62 -57.85 18.84 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.637 0.732 . . . . 0.0 111.157 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.532 ' HD2' ' N ' ' A' ' 112' ' ' ILE . 53.8 Cg_endo -69.71 -32.24 19.17 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.713 2.275 . . . . 0.0 112.353 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 13.2 tp -51.87 -50.4 61.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.977 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.595 ' HA ' HD12 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -63.66 -44.76 92.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.91 179.895 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -55.13 -35.47 64.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.9 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 120' ' ' GLU . 47.5 mmt-85 -69.76 -57.86 4.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.595 HD12 ' HA ' ' A' ' 115' ' ' ARG . 22.0 mt -37.6 -53.64 1.2 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.93 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.494 ' OE2' ' NE ' ' A' ' 115' ' ' ARG . 45.7 mt-10 -54.87 -39.91 69.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 117' ' ' ARG . 14.3 tt0 -51.88 -33.13 35.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.891 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 9.3 mmp_? -77.81 -36.27 50.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.886 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 11.6 tm0? . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 -179.961 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.842 0.353 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.495 HD23 ' OE1' ' A' ' 108' ' ' GLU . 12.2 tp -71.73 -37.41 70.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.476 ' CE1' ' OE1' ' A' ' 108' ' ' GLU . 16.0 m-85 -63.81 -47.73 79.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 39.1 mt -52.06 -45.75 64.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.858 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 18.2 t90 -49.56 -31.58 10.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 97.6 t -67.91 -52.51 38.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.174 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -42.86 -51.12 5.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 20.0 t30 -46.48 -38.35 9.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 91.8 mt . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 121.614 0.721 . . . . 0.0 111.125 179.941 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.6 t0 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.832 0.348 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.49 ' O ' ' N ' ' A' ' 42' ' ' ASP . 7.7 m-85 -51.62 -33.08 31.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 40' ' ' PHE . 31.1 t -36.21 -30.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.887 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.49 ' N ' ' O ' ' A' ' 40' ' ' PHE . 3.9 p30 -101.76 146.76 27.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.845 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 44' ' ' VAL . . . -69.37 -33.55 73.03 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.469 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.421 ' C ' ' O ' ' A' ' 43' ' ' GLY . 77.4 t -36.36 -57.06 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.878 0.37 . . . . 0.0 111.106 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 27.7 tp -63.89 -50.2 69.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 93.1 t -44.48 -47.83 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.145 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -48.62 -41.64 31.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.07 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -54.35 -43.88 71.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 99.5 t -49.53 -51.73 14.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.118 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.789 HD13 HG11 ' A' ' 83' ' ' VAL . 12.5 mt -58.05 -47.29 87.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.128 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.447 ' CD ' ' HB3' ' A' ' 55' ' ' PRO . 0.3 OUTLIER -35.34 -64.43 0.28 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 179.842 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.434 ' C ' ' O ' ' A' ' 51' ' ' LYS . 11.5 t80 -35.7 -60.44 0.52 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 -63.71 -59.58 4.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.936 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.414 ' HA ' ' HD2' ' A' ' 55' ' ' PRO . 55.6 m-85 -130.06 96.8 24.55 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.651 0.739 . . . . 0.0 110.893 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.447 ' HB3' ' CD ' ' A' ' 51' ' ' LYS . 53.8 Cg_endo -69.84 -18.61 36.53 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.679 2.253 . . . . 0.0 112.315 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 15.3 ptpt -77.21 -33.07 56.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.919 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 80.4 mtp -65.17 -46.9 78.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.871 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 92.4 t -63.53 136.89 25.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.084 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -100.98 -51.81 3.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 8.3 mmt 42.91 43.64 3.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.857 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 69.5 t60 -122.99 -18.24 6.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.817 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 14.0 p30 -124.37 -28.59 3.63 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 58.7 m-85 -68.43 120.78 15.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.917 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.59 HG13 ' HD2' ' A' ' 65' ' ' PRO . 83.9 t -125.76 136.97 29.11 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.631 0.729 . . . . 0.0 111.152 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.59 ' HD2' HG13 ' A' ' 64' ' ' VAL . 53.8 Cg_endo -69.78 125.04 11.68 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.676 2.25 . . . . 0.0 112.368 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -130.33 171.66 12.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.123 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 25.6 p-10 -114.92 25.77 10.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.879 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 70.4 m -123.08 131.67 53.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.82 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 25.7 tp -51.11 -48.15 61.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.909 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -50.01 -47.9 52.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 18.0 tp60 -64.23 -47.11 80.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 15.6 mmtp -46.02 -65.28 0.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 90.6 mt -54.26 -46.22 72.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.2 t -44.21 -44.05 7.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -72.33 -34.65 68.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 42.7 m95 -65.67 -59.77 3.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.956 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -44.51 -43.69 7.85 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.474 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 4.2 t-160 -67.79 -45.93 73.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.805 0.336 . . . . 0.0 110.86 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 5.2 tp -58.07 -18.12 22.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.933 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.709 ' HA ' HD12 ' A' ' 84' ' ' LEU . 57.7 t-20 -75.18 -36.78 61.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.822 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 15.7 mtp180 -105.65 3.45 29.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.845 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.459 ' O ' ' CZ ' ' A' ' 86' ' ' ARG . 23.9 mmtt -111.76 -22.87 10.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.789 HG11 HD13 ' A' ' 50' ' ' ILE . 46.7 t -130.92 -68.79 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.118 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.709 HD12 ' HA ' ' A' ' 80' ' ' ASN . 77.1 mt -40.93 -49.84 3.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.92 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 84' ' ' LEU . 33.3 ttpt -35.31 -57.32 0.6 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.929 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.508 ' CD ' ' H ' ' A' ' 86' ' ' ARG . 0.3 OUTLIER -52.71 -39.11 61.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.838 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.591 HD21 HD23 ' A' ' 118' ' ' LEU . 10.6 mt -86.71 28.93 0.83 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.426 ' C ' ' O ' ' A' ' 87' ' ' LEU . 8.0 m-20 36.09 36.73 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.597 ' CE1' HG13 ' A' ' 110' ' ' VAL . 8.5 t80 -111.57 121.94 46.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 53.3 m -122.54 126.56 48.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.662 HG13 ' HD2' ' A' ' 92' ' ' PRO . 86.3 t -119.55 138.71 26.9 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.613 0.721 . . . . 0.0 111.113 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.662 ' HD2' HG13 ' A' ' 91' ' ' VAL . 53.6 Cg_endo -69.74 -175.01 1.01 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.732 2.288 . . . . 0.0 112.331 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -90.65 -46.8 8.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.87 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -51.56 -20.32 1.88 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.87 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.494 ' CG2' ' HG2' ' A' ' 92' ' ' PRO . 37.6 t -87.89 -38.0 11.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 7.6 mtt -68.91 -43.84 74.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 24.3 mtm180 -52.5 -31.72 36.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.87 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 3.7 mtpm? -80.87 -42.67 21.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.487 HG23 ' HB ' ' A' ' 107' ' ' VAL . 96.6 mt -53.79 -50.41 52.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.144 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -69.97 -19.15 63.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.123 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 102' ' ' CYS . 9.4 mm-40 -92.24 28.29 1.96 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.922 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . 0.407 ' C ' ' O ' ' A' ' 101' ' ' GLN . 20.0 p 36.99 52.82 1.1 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.686 ' HB1' ' HD2' ' A' ' 104' ' ' PRO . . . -75.73 163.37 67.59 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.574 0.702 . . . . 0.0 111.073 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.686 ' HD2' ' HB1' ' A' ' 103' ' ' ALA . 53.6 Cg_endo -69.77 119.65 6.56 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.7 2.266 . . . . 0.0 112.311 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 104' ' ' PRO . . . 35.1 85.6 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.496 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 57.6 t -134.41 -58.48 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.876 0.369 . . . . 0.0 111.162 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.487 ' HB ' HG23 ' A' ' 99' ' ' ILE . 6.3 p -61.55 -33.98 59.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.121 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.685 ' HA ' HD12 ' A' ' 111' ' ' LEU . 10.6 mm-40 -57.15 -30.74 64.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 35.2 mt -65.17 -25.1 67.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.597 HG13 ' CE1' ' A' ' 89' ' ' PHE . 45.0 t -93.64 -15.97 7.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.107 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.685 HD12 ' HA ' ' A' ' 108' ' ' GLU . 45.0 mt -82.68 -28.49 30.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.948 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.53 ' N ' ' HD2' ' A' ' 113' ' ' PRO . 3.8 mt -58.07 -57.87 22.81 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.612 0.72 . . . . 0.0 111.109 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.53 ' HD2' ' N ' ' A' ' 112' ' ' ILE . 53.9 Cg_endo -69.74 -35.16 13.2 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.659 2.239 . . . . 0.0 112.359 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 6.3 tp -45.89 -38.35 7.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 44.0 ttp180 -73.96 -42.11 60.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -61.39 -34.58 75.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.934 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 29.5 mmt-85 -71.96 -46.21 58.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.591 HD23 HD21 ' A' ' 87' ' ' LEU . 17.0 mt -64.22 -49.97 69.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -49.13 -33.88 12.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -52.25 -51.07 60.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 48.6 mtt85 -72.81 -31.87 65.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.834 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.904 -179.921 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 33.9 mm-40 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.855 0.359 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.0 tp -82.95 -33.88 26.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -67.09 -37.53 84.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.938 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 21.6 mt -62.13 -57.05 13.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.92 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.503 ' CD2' ' HD2' ' A' ' 115' ' ' ARG . 6.5 t90 -39.59 -42.19 1.14 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 69.4 t -65.64 -53.63 36.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.124 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -49.75 -43.96 48.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -51.8 -54.86 24.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 79.7 mt . . . . . 0 C--N 1.329 -0.315 0 CA-C-O 121.612 0.72 . . . . 0.0 111.156 179.913 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.6 t0 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.834 0.349 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.435 ' O ' ' C ' ' A' ' 41' ' ' SER . 2.9 m-85 -45.58 -48.09 14.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 40' ' ' PHE . 2.4 m -35.54 -34.71 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.895 -179.8 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 40' ' ' PHE . 4.7 t70 -46.34 -52.81 12.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.848 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 113.08 -48.97 0.88 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.507 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.453 ' O ' ' HE1' ' A' ' 60' ' ' MET . 47.2 t -58.47 -37.02 61.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.845 0.355 . . . . 0.0 111.089 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 14.3 tp -69.19 -41.77 76.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 91.4 t -49.03 -36.04 7.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.134 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.35 -48.5 75.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.104 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -45.6 -51.21 12.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 81.2 t -49.1 -42.16 14.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.112 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 37.9 mt -66.86 -35.27 74.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.14 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 30.4 tptt -45.13 -51.86 9.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.891 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 43.8 t80 -43.28 -50.94 6.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -73.38 -58.05 3.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.935 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -132.69 120.6 16.71 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.638 0.732 . . . . 0.0 110.876 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -44.98 1.77 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.691 2.261 . . . . 0.0 112.365 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 37.4 mtpt -59.85 -52.4 65.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 64.6 mmm -38.54 -33.21 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.863 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 67.3 t -86.93 129.95 37.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.088 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.513 ' O ' ' CD2' ' A' ' 63' ' ' TYR . 27.3 mt-10 -129.92 71.67 1.46 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.453 ' HE1' ' O ' ' A' ' 44' ' ' VAL . 23.6 mmt -65.8 -39.56 91.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 24.1 t-80 -38.65 -35.22 0.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.839 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -90.46 -52.63 4.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.544 ' CZ ' HD12 ' A' ' 79' ' ' LEU . 41.2 m-85 -64.49 129.5 40.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.412 HG13 ' HD2' ' A' ' 65' ' ' PRO . 97.6 t -123.0 132.09 24.31 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.624 0.726 . . . . 0.0 111.084 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.412 ' HD2' HG13 ' A' ' 64' ' ' VAL . 54.4 Cg_endo -69.71 116.33 4.5 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.682 2.255 . . . . 0.0 112.376 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -114.26 168.47 9.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.097 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -94.58 -67.7 0.84 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 21.5 t -50.25 169.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.85 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.543 HD22 ' NE2' ' A' ' 101' ' ' GLN . 0.8 OUTLIER -89.12 -37.68 14.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.421 ' N ' ' HG ' ' A' ' 69' ' ' LEU . 1.5 pp0? -42.7 -42.27 3.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 43.2 tp60 -71.08 -41.49 70.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.46 ' CG ' ' HA ' ' A' ' 69' ' ' LEU . 47.1 mmtt -39.31 -66.73 0.26 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 18.5 mt -43.1 -45.05 5.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.6 t -49.37 -53.45 22.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 43.8 m-20 -59.81 -60.13 4.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.883 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 34.4 m95 -42.29 -50.44 4.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -44.51 -45.42 8.48 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.44 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 49.0 m170 -68.88 -48.02 64.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.833 0.349 . . . . 0.0 110.873 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.544 HD12 ' CZ ' ' A' ' 63' ' ' TYR . 3.0 tp -58.24 -13.54 5.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.494 ' HA ' HD12 ' A' ' 84' ' ' LEU . 36.5 t-20 -86.13 -30.07 22.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.921 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 64.6 mtp180 -109.5 0.67 19.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.1 mmpt? -113.78 -37.04 4.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.865 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 97.2 t -107.76 -70.02 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.089 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.494 HD12 ' HA ' ' A' ' 80' ' ' ASN . 73.4 mt -40.49 -61.7 0.88 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.862 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 84' ' ' LEU . 24.0 ttpp -37.01 -51.64 0.94 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -53.5 -44.73 69.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.405 ' N ' ' O ' ' A' ' 84' ' ' LEU . 10.0 mt -87.17 31.85 0.71 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 40.09 36.93 0.34 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.438 ' CD2' HD22 ' A' ' 84' ' ' LEU . 12.9 t80 -109.77 143.33 39.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.569 ' O ' HG23 ' A' ' 91' ' ' VAL . 57.7 m -133.32 163.77 28.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 -179.764 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 90' ' ' SER . 10.8 t -159.53 129.73 3.5 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.59 0.709 . . . . 0.0 111.163 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.672 ' HG2' HG23 ' A' ' 95' ' ' VAL . 53.7 Cg_endo -69.78 155.27 66.28 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.658 2.239 . . . . 0.0 112.37 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -61.52 -34.95 76.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.864 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -56.04 -45.63 79.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.672 HG23 ' HG2' ' A' ' 92' ' ' PRO . 87.7 t -71.19 -36.83 63.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.115 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 4.5 mtt -58.31 -50.16 74.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 20.7 mtp85 -47.81 -54.19 13.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.542 ' CB ' HG11 ' A' ' 106' ' ' VAL . 14.5 mttm -53.99 -59.99 3.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.915 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 71.8 mt -45.25 -49.58 3.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.116 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -60.11 -27.02 66.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.111 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.543 ' NE2' HD22 ' A' ' 69' ' ' LEU . 19.5 mm-40 -84.45 12.8 6.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.942 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 99.8 m 56.43 46.58 20.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -81.08 136.75 49.97 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.608 0.718 . . . . 0.0 111.078 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 131.43 21.3 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.747 2.298 . . . . 0.0 112.37 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.453 ' O ' ' C ' ' A' ' 106' ' ' VAL . . . 84.55 -58.64 4.98 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.505 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.542 HG11 ' CB ' ' A' ' 98' ' ' LYS . 39.3 t -33.81 -53.63 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.875 0.369 . . . . 0.0 111.131 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.523 HG13 ' N ' ' A' ' 108' ' ' GLU . 8.8 p -67.84 -46.66 81.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.122 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.523 ' N ' HG13 ' A' ' 107' ' ' VAL . 42.0 mp0 -53.93 -33.8 57.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.465 HD12 ' HA ' ' A' ' 106' ' ' VAL . 38.6 mt -59.85 -21.3 60.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.948 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 2.6 t -102.21 -16.59 7.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.156 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 72.8 mt -74.49 -43.29 56.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.921 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.526 HG22 ' N ' ' A' ' 113' ' ' PRO . 3.3 mt -52.24 -58.45 11.49 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.582 0.706 . . . . 0.0 111.136 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.526 ' N ' HG22 ' A' ' 112' ' ' ILE . 53.6 Cg_endo -69.76 -18.05 37.23 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.631 2.221 . . . . 0.0 112.346 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 13.5 tp -69.13 -45.54 69.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.503 ' HD2' ' CD2' ' A' ' 23' ' ' TRP . 37.8 ttt-85 -79.85 -44.8 19.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . 0.402 ' CG ' ' N ' ' A' ' 117' ' ' ARG . 5.4 pt20 -47.0 -42.39 17.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.402 ' N ' ' CG ' ' A' ' 116' ' ' GLN . 15.7 mmm180 -69.07 -54.83 13.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 84.4 mt -41.16 -54.53 2.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.866 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -44.98 -40.73 6.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -53.36 -44.58 68.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.871 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 47.3 mtp85 -76.0 -52.9 9.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.849 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 6.0 tp60 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 -179.941 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.768 ' HA ' HD12 ' A' ' 22' ' ' LEU . 20.6 mm-40 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.855 0.36 . . . . 0.0 110.961 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.7 tp -65.09 -46.12 82.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.928 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -50.33 -44.34 54.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.768 HD12 ' HA ' ' A' ' 19' ' ' GLN . 10.5 mt -46.68 -48.4 20.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.913 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.488 ' CE2' ' HD3' ' A' ' 115' ' ' ARG . 10.6 t90 -47.21 -47.31 24.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.4 t -58.92 -40.18 79.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.099 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -56.93 -46.9 81.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -45.11 -33.61 2.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 6.1 mt . . . . . 0 C--N 1.33 -0.278 0 CA-C-O 121.603 0.716 . . . . 0.0 111.133 179.938 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.858 0.361 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.438 ' O ' ' C ' ' A' ' 41' ' ' SER . 18.2 m-85 -59.93 -49.35 78.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 40' ' ' PHE . 40.3 t -35.14 -39.15 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.84 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -54.34 -55.95 23.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.864 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 111.66 -45.08 1.37 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.507 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 74.7 t -45.71 -36.91 2.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.891 0.377 . . . . 0.0 111.138 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 22.2 tp -62.01 -51.2 69.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.968 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 91.2 t -39.73 -50.3 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.09 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -45.8 -47.53 15.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.106 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -49.06 -48.68 43.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 92.9 t -46.82 -53.22 3.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.177 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.447 ' O ' ' C ' ' A' ' 51' ' ' LYS . 77.0 mt -51.25 -46.55 33.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.156 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 50' ' ' ILE . 13.5 tptm -34.55 -58.56 0.49 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -40.94 -47.77 3.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -75.09 -52.74 10.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -138.84 112.75 8.3 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.634 0.73 . . . . 0.0 110.891 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.71 -43.99 2.38 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.674 2.249 . . . . 0.0 112.333 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.408 ' HG3' ' N ' ' A' ' 57' ' ' MET . 15.8 ptpt -59.95 -42.24 93.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.408 ' N ' ' HG3' ' A' ' 56' ' ' LYS . 48.1 mmm -49.63 -53.31 24.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.903 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 51.6 t -74.73 134.28 29.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.138 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -95.46 -58.0 2.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 3.7 mmt 59.55 45.98 12.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 8.7 m170 -131.68 -37.68 1.18 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.834 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -94.99 -45.98 7.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -58.89 147.59 33.35 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.649 HG13 ' HD2' ' A' ' 65' ' ' PRO . 85.2 t -155.83 138.67 10.59 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.604 0.716 . . . . 0.0 111.111 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.649 ' HD2' HG13 ' A' ' 64' ' ' VAL . 54.1 Cg_endo -69.78 127.62 14.83 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.647 2.231 . . . . 0.0 112.346 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -139.57 160.31 40.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.118 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 26.5 m120 -88.21 -55.01 3.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 41.7 t -43.04 160.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.826 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' A' ' 70' ' ' GLN . 12.2 mt -82.46 -44.78 15.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.913 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 69' ' ' LEU . 3.9 tm0? -38.02 -45.57 0.91 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.43 ' O ' ' C ' ' A' ' 72' ' ' LYS . 60.6 tp60 -68.26 -49.48 60.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.906 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 71' ' ' GLN . 17.1 mmtp -36.2 -56.42 0.76 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 77.7 mt -70.81 -35.75 72.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.935 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 39.4 t -51.1 -56.78 10.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -61.07 -61.92 2.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.885 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 37.1 m95 -41.3 -50.84 3.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.945 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -49.7 -48.17 36.71 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.492 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.463 ' O ' ' CG ' ' A' ' 82' ' ' LYS . 6.8 m-70 -64.94 -31.08 72.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.84 0.352 . . . . 0.0 110.862 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.8 tp -71.43 -12.75 61.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.595 ' HA ' HD12 ' A' ' 84' ' ' LEU . 40.6 t-20 -79.6 -32.63 41.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 39.1 mtm180 -109.7 1.7 19.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.463 ' CG ' ' O ' ' A' ' 78' ' ' HIS . 27.4 mmtt -111.64 -30.23 7.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.425 ' O ' ' C ' ' A' ' 84' ' ' LEU . 93.6 t -121.38 -71.42 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.171 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.595 HD12 ' HA ' ' A' ' 80' ' ' ASN . 65.6 mt -35.89 -60.33 0.54 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.94 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 12.5 tptm -46.39 -45.44 17.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 20.6 mmt180 -61.55 -36.85 81.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 15.3 mt -94.04 33.16 1.37 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.927 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 44.5 t30 43.16 29.49 0.21 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.923 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -108.31 157.17 18.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.856 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 59.5 p -155.15 142.22 19.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.839 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.54 HG13 ' HD2' ' A' ' 92' ' ' PRO . 72.2 t -145.31 135.33 11.77 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.661 0.743 . . . . 0.0 111.101 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.54 ' HD2' HG13 ' A' ' 91' ' ' VAL . 53.9 Cg_endo -69.71 167.01 25.62 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.678 2.252 . . . . 0.0 112.336 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -66.68 -34.61 78.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -54.95 -47.62 74.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.834 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.47 ' HB ' ' CG1' ' A' ' 91' ' ' VAL . 22.8 t -59.41 -47.62 90.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.157 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.422 ' CE ' HD22 ' A' ' 80' ' ' ASN . 7.7 mtt -57.37 -52.55 64.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.892 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 18.0 mtm-85 -39.48 -46.51 1.71 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.83 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.573 ' CB ' HG11 ' A' ' 106' ' ' VAL . 33.1 mttp -61.0 -54.47 44.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.846 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 82.2 mt -49.16 -62.94 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.131 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.425 ' HB1' ' HB3' ' A' ' 72' ' ' LYS . . . -52.31 -24.94 8.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.055 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.434 ' O ' ' C ' ' A' ' 102' ' ' CYS . 28.2 mm-40 -92.44 31.66 1.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . 0.434 ' C ' ' O ' ' A' ' 101' ' ' GLN . 4.8 t 35.79 44.49 0.23 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.579 ' HB3' HG21 ' A' ' 106' ' ' VAL . . . -76.67 143.05 71.05 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.541 0.686 . . . . 0.0 111.115 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.862 ' O ' HG23 ' A' ' 106' ' ' VAL . 53.7 Cg_endo -69.77 152.28 69.21 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.707 2.272 . . . . 0.0 112.306 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 104' ' ' PRO . . . 35.56 59.3 0.85 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.481 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.862 HG23 ' O ' ' A' ' 104' ' ' PRO . 91.5 t -131.01 -61.71 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.866 0.365 . . . . 0.0 111.126 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 12.0 p -60.75 -38.13 77.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.121 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 31.4 mp0 -58.26 -38.98 78.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 56.6 mt -53.33 -16.82 1.48 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.9 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 48.4 t -104.77 -28.04 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.142 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 94.3 mt -67.56 -42.83 81.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.945 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.52 ' N ' ' HD2' ' A' ' 113' ' ' PRO . 3.1 mt -48.96 -58.41 8.7 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.646 0.736 . . . . 0.0 111.129 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.52 ' HD2' ' N ' ' A' ' 112' ' ' ILE . 54.3 Cg_endo -69.72 -33.35 16.94 Favored 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.692 2.262 . . . . 0.0 112.361 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 16.8 tp -41.87 -45.63 3.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.956 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.488 ' HD3' ' CE2' ' A' ' 23' ' ' TRP . 13.1 mtm180 -67.41 -58.43 4.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.866 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 115' ' ' ARG . 10.2 mt-30 -34.4 -38.92 0.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.918 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -78.38 -52.04 9.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 83.5 mt -51.68 -46.96 64.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.933 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -58.34 -42.19 86.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -51.32 -55.17 19.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 29.8 mtt85 -67.24 -51.37 53.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 80.1 mm-40 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.855 0.36 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.46 HD21 ' HG3' ' A' ' 108' ' ' GLU . 6.5 tp -67.43 -30.96 70.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -70.4 -25.55 63.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.933 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 70.0 mt -81.21 -46.37 14.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.925 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.731 ' CZ2' HD11 ' A' ' 27' ' ' ILE . 27.7 t90 -47.76 -44.22 27.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 47.7 t -58.32 -26.9 31.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.071 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -71.92 -46.97 55.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.489 ' OD1' ' N ' ' A' ' 27' ' ' ILE . 0.6 OUTLIER -52.67 -43.58 65.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 -179.923 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.731 HD11 ' CZ2' ' A' ' 23' ' ' TRP . 88.4 mt . . . . . 0 C--N 1.329 -0.309 0 CA-C-O 121.632 0.729 . . . . 0.0 111.074 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.1 t70 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.815 0.341 . . . . 0.0 110.836 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.41 ' O ' ' C ' ' A' ' 41' ' ' SER . 6.1 m-85 -47.24 -44.14 22.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 40' ' ' PHE . 7.3 p -37.73 -33.25 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.879 -179.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -56.26 -51.3 68.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 105.57 -42.36 1.92 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.489 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 69.9 t -55.74 -35.87 41.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.866 0.365 . . . . 0.0 111.131 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.0 tp -64.01 -50.27 69.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.966 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 85.9 t -49.7 -44.37 19.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.147 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -53.6 -37.56 63.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.085 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -66.14 -39.02 89.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.656 HG13 HD13 ' A' ' 27' ' ' ILE . 57.3 t -57.2 -39.8 69.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.145 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 46.9 mt -64.81 -34.21 68.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.147 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.426 ' N ' HG21 ' A' ' 58' ' ' VAL . 27.1 tptt -43.02 -54.26 4.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -44.04 -55.84 4.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.457 ' CD2' ' HB3' ' A' ' 118' ' ' LEU . 59.8 m-85 -64.87 -56.46 13.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 -139.95 108.87 7.02 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.656 0.741 . . . . 0.0 110.873 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -31.79 19.68 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.714 2.276 . . . . 0.0 112.323 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 14.8 pttp -69.22 -44.24 72.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.926 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 19.0 mmm -56.38 -29.43 61.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.426 HG21 ' N ' ' A' ' 51' ' ' LYS . 90.6 t -84.26 128.29 39.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.124 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -123.66 84.04 2.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 6.9 mmt -83.09 56.44 3.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 8.2 m170 -130.53 -33.57 1.64 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -93.64 -47.99 6.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -63.91 125.17 23.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.94 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.631 HG13 ' HD2' ' A' ' 65' ' ' PRO . 89.3 t -121.3 137.56 26.98 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.629 0.728 . . . . 0.0 111.135 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.631 ' HD2' HG13 ' A' ' 64' ' ' VAL . 53.4 Cg_endo -69.75 107.17 1.8 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.652 2.235 . . . . 0.0 112.357 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.414 ' O ' ' NZ ' ' A' ' 72' ' ' LYS . . . -109.53 176.52 5.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.092 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 57.0 m-20 -117.3 -39.27 3.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.0 m -59.17 171.79 0.69 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.403 ' CD1' ' C ' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -82.0 -58.05 3.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.939 179.947 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 69' ' ' LEU . 13.6 pt20 -38.07 -47.3 1.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.966 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -54.69 -47.5 73.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.414 ' NZ ' ' O ' ' A' ' 66' ' ' ALA . 0.0 OUTLIER -49.44 -64.37 0.83 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.901 179.939 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.749 HD21 ' HA ' ' A' ' 97' ' ' ARG . 22.9 mt -50.71 -46.33 58.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.897 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 6.2 t -55.56 -47.65 76.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.85 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 17.9 m-20 -61.03 -59.32 5.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.49 ' CZ2' HG21 ' A' ' 99' ' ' ILE . 34.9 m95 -48.98 -51.56 29.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -38.36 -50.94 2.31 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.479 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 17.7 m80 -62.64 -54.49 38.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.862 0.363 . . . . 0.0 110.891 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.0 tp -46.14 -22.49 0.23 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.936 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.707 ' HA ' HD12 ' A' ' 84' ' ' LEU . 37.9 t-20 -77.83 -38.63 45.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 19.2 mmm180 -103.32 4.65 36.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 13.8 mmtm -115.16 -31.88 5.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.417 ' O ' ' C ' ' A' ' 84' ' ' LEU . 78.6 t -117.16 -74.44 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.122 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.707 HD12 ' HA ' ' A' ' 80' ' ' ASN . 73.7 mt -36.52 -58.31 0.72 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 19.6 ttpp -38.48 -53.15 1.57 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 29.8 mmt180 -57.36 -38.45 74.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.81 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 84' ' ' LEU . 18.3 mt -84.62 29.43 0.61 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.927 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 60.6 t30 42.72 34.84 0.62 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -111.84 144.11 41.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 57.7 m -134.36 147.51 50.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.673 HG13 ' HD2' ' A' ' 92' ' ' PRO . 97.7 t -147.83 138.89 13.34 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.581 0.705 . . . . 0.0 111.158 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.673 ' HD2' HG13 ' A' ' 91' ' ' VAL . 53.5 Cg_endo -69.8 163.0 39.94 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.702 2.268 . . . . 0.0 112.319 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -73.31 -20.32 60.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -72.43 -49.19 35.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.905 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 16.4 t -60.64 -32.98 53.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.147 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 11.6 mtm -63.28 -44.59 94.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.871 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.749 ' HA ' HD21 ' A' ' 73' ' ' LEU . 41.1 mtt180 -49.9 -52.3 34.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.84 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.441 ' HB2' HG11 ' A' ' 106' ' ' VAL . 30.2 mttm -53.1 -58.36 7.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.88 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.49 HG21 ' CZ2' ' A' ' 76' ' ' TRP . 83.4 mt -44.37 -56.07 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.078 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -61.57 -23.64 66.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.113 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 9.9 mm-40 -83.96 16.48 2.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.935 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 63.0 m 51.17 54.38 11.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -96.26 121.4 60.51 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.625 0.726 . . . . 0.0 111.095 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.71 128.83 16.64 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.7 2.267 . . . . 0.0 112.372 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 101.17 -51.28 0.96 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.464 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.441 HG11 ' HB2' ' A' ' 98' ' ' LYS . 40.3 t -47.23 -72.19 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.867 0.365 . . . . 0.0 111.118 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 6.0 p -49.92 -34.01 9.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.101 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.479 ' OE1' HD12 ' A' ' 111' ' ' LEU . 2.3 tp10 -56.41 -44.35 80.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.912 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 34.7 mt -57.54 -19.35 24.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 2.1 t -94.94 -18.62 6.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.172 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.479 HD12 ' OE1' ' A' ' 108' ' ' GLU . 90.5 mt -80.49 -29.65 37.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.532 ' N ' ' HD2' ' A' ' 113' ' ' PRO . 3.8 mt -62.72 -57.99 19.08 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.628 0.728 . . . . 0.0 111.145 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.532 ' HD2' ' N ' ' A' ' 112' ' ' ILE . 54.0 Cg_endo -69.81 -35.43 12.51 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.661 2.241 . . . . 0.0 112.343 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 13.5 tp -50.43 -60.35 3.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.919 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.421 ' HG3' ' N ' ' A' ' 116' ' ' GLN . 46.6 ptt85 -55.19 -41.6 72.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . 0.421 ' N ' ' HG3' ' A' ' 115' ' ' ARG . 40.0 mt-30 -53.8 -34.59 59.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.922 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -76.03 -40.38 53.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.839 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.457 ' HB3' ' CD2' ' A' ' 53' ' ' TYR . 68.5 mt -66.27 -34.36 77.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -66.47 -27.82 68.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -93.65 -17.2 23.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.845 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 4.9 mmm180 -85.28 -37.64 19.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.875 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 -179.982 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 71.3 mm-40 . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.795 0.331 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.0 tp -76.74 -28.27 55.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -72.64 -24.35 61.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.955 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 34.5 mt -80.9 -49.25 11.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.937 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.476 ' CH2' HG11 ' A' ' 49' ' ' VAL . 12.7 t90 -42.47 -34.89 0.91 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.952 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 74.4 t -67.25 -43.54 88.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.133 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -52.62 -51.22 60.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 31.3 t30 -43.71 -51.83 6.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 65.7 mt . . . . . 0 C--N 1.33 -0.278 0 CA-C-O 121.573 0.701 . . . . 0.0 111.173 179.908 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 40' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.834 0.349 . . . . 0.0 110.864 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.441 ' O ' ' C ' ' A' ' 41' ' ' SER . 8.2 m-85 -37.72 -41.14 0.47 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.46 ' CB ' ' SG ' ' A' ' 102' ' ' CYS . 77.9 p -34.76 -45.66 0.26 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.866 -179.814 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -79.81 154.69 28.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -84.61 38.17 2.92 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.503 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 58.9 t -115.14 -41.81 3.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.892 0.377 . . . . 0.0 111.143 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.403 ' O ' HD13 ' A' ' 45' ' ' LEU . 0.1 OUTLIER -69.2 -47.65 64.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.923 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 57.5 t -50.57 -52.56 15.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.139 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -38.97 -58.16 1.15 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.073 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -42.02 -51.26 4.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.476 HG11 ' CH2' ' A' ' 23' ' ' TRP . 97.6 t -46.65 -38.96 3.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.142 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.498 HG12 HD11 ' A' ' 118' ' ' LEU . 16.5 mt -77.04 -44.05 31.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 50' ' ' ILE . 11.2 tptm -36.54 -40.81 0.27 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 27.9 t80 -52.78 -55.55 22.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -75.22 -48.06 25.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.412 ' HA ' ' HD2' ' A' ' 55' ' ' PRO . 46.3 m-85 -129.91 95.23 29.24 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.603 0.716 . . . . 0.0 110.829 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 54' ' ' PHE . 53.8 Cg_endo -69.72 -33.04 17.54 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.668 2.245 . . . . 0.0 112.361 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.9 mmmt -71.57 -50.92 26.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 25.3 mmm -43.99 -42.19 5.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.899 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 58.1 t -80.7 123.94 37.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.128 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.9 mp0 -114.32 85.78 2.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.402 ' O ' ' N ' ' A' ' 62' ' ' ASN . 6.1 mmt -61.38 -46.37 90.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.848 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 35.0 t60 -38.76 -31.14 0.05 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.851 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.402 ' N ' ' O ' ' A' ' 60' ' ' MET . 35.4 m-20 -91.43 -46.46 7.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -79.75 129.61 34.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.96 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.664 HG13 ' HD2' ' A' ' 65' ' ' PRO . 90.8 t -135.11 138.79 30.08 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.622 0.725 . . . . 0.0 111.115 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.664 ' HD2' HG13 ' A' ' 64' ' ' VAL . 53.9 Cg_endo -69.77 104.19 1.28 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.697 2.265 . . . . 0.0 112.345 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -97.72 169.45 9.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.123 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -121.65 45.77 2.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.878 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 90.9 p -157.15 120.57 4.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.435 ' O ' ' C ' ' A' ' 70' ' ' GLN . 0.7 OUTLIER -39.33 -60.93 0.85 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.91 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 69' ' ' LEU . 9.9 mm100 -35.44 -47.73 0.45 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.412 ' O ' ' C ' ' A' ' 72' ' ' LYS . 8.1 tm0? -65.62 -49.97 66.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 71' ' ' GLN . 5.7 mmpt? -36.89 -66.59 0.22 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 56.6 mt -48.69 -50.76 31.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.9 t -40.8 -46.05 2.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 35.8 m-20 -68.12 -55.3 12.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.523 ' CZ2' HG21 ' A' ' 99' ' ' ILE . 44.0 m95 -42.12 -49.22 4.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.931 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -48.64 -44.45 29.84 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.508 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 12.2 m170 -67.55 -33.62 75.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.86 0.362 . . . . 0.0 110.918 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 5.3 tp -72.99 -10.11 59.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.911 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.619 ' HA ' HD12 ' A' ' 84' ' ' LEU . 35.0 t-20 -88.2 -28.86 20.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 70.2 mtt180 -109.37 0.02 19.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 30.0 mmtt -110.65 -36.31 5.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.578 HG12 HD12 ' A' ' 87' ' ' LEU . 85.3 t -110.71 -69.95 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.138 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.619 HD12 ' HA ' ' A' ' 80' ' ' ASN . 82.8 mt -41.59 -61.7 1.02 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 14.7 tptp -41.91 -50.55 4.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -62.57 -31.33 72.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.87 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.578 HD12 HG12 ' A' ' 83' ' ' VAL . 13.1 mt -96.44 29.18 2.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 42.33 34.12 0.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -109.22 140.89 42.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 53.3 m -132.57 132.3 42.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 10.5 t -129.83 131.22 23.38 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.672 0.748 . . . . 0.0 111.094 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.483 ' HG2' ' CG2' ' A' ' 95' ' ' VAL . 53.9 Cg_endo -69.7 148.01 64.48 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.669 2.246 . . . . 0.0 112.381 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -61.49 -34.06 74.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.834 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -58.66 -37.14 75.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.825 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.483 ' CG2' ' HG2' ' A' ' 92' ' ' PRO . 18.6 t -72.72 -42.91 61.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.141 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 5.4 mtm -58.04 -45.75 86.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 26.7 mtt-85 -47.73 -41.0 21.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.694 ' HB2' HG11 ' A' ' 106' ' ' VAL . 22.7 mtpt -72.71 -45.77 57.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.948 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.536 HG13 HG12 ' A' ' 106' ' ' VAL . 60.7 mt -51.58 -46.22 36.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.124 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.74 -22.91 65.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.094 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -81.46 1.2 34.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . 0.46 ' SG ' ' CB ' ' A' ' 41' ' ' SER . 12.7 m 61.76 48.54 5.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -87.76 139.25 31.2 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.594 0.711 . . . . 0.0 111.124 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 124.05 10.68 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.645 2.23 . . . . 0.0 112.348 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.427 ' O ' ' C ' ' A' ' 106' ' ' VAL . . . 100.76 -60.47 0.64 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.478 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.694 HG11 ' HB2' ' A' ' 98' ' ' LYS . 44.1 t -33.72 -73.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.896 0.379 . . . . 0.0 111.118 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.59 HG13 ' N ' ' A' ' 108' ' ' GLU . 10.8 p -44.7 -49.75 2.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.161 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.59 ' N ' HG13 ' A' ' 107' ' ' VAL . 26.7 mt-10 -52.53 -45.96 66.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.919 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 18.6 mt -53.64 -16.95 1.82 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 82.5 t -105.57 -19.64 6.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.102 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 46.9 mt -82.7 -40.72 20.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.53 ' N ' ' HD2' ' A' ' 113' ' ' PRO . 3.8 mt -50.14 -57.95 11.14 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.639 0.733 . . . . 0.0 111.166 179.806 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.53 ' HD2' ' N ' ' A' ' 112' ' ' ILE . 54.1 Cg_endo -69.73 -22.44 32.21 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.724 2.282 . . . . 0.0 112.353 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 22.3 tp -55.69 -60.47 3.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.46 ' HD2' ' N ' ' A' ' 116' ' ' GLN . 6.1 ppt_? -59.3 -39.95 84.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . 0.46 ' N ' ' HD2' ' A' ' 115' ' ' ARG . 10.9 mt-30 -51.58 -18.95 1.29 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.947 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 23.2 mmm180 -96.9 -49.59 4.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.901 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.498 HD11 HG12 ' A' ' 50' ' ' ILE . 66.9 mt -59.19 -40.68 86.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -68.97 -22.48 64.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.498 ' OE1' ' N ' ' A' ' 120' ' ' GLU . 0.0 OUTLIER -83.29 -40.84 19.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.858 -179.914 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 20.9 mtp85 -72.55 -44.35 62.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 -179.939 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 57.0 mm-40 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.808 0.337 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.7 tp -73.77 -43.35 59.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -61.94 -53.53 54.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.928 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 70.7 mt -48.08 -52.2 21.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.905 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.525 ' CD2' ' HD2' ' A' ' 115' ' ' ARG . 4.8 t90 -43.35 -56.34 3.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 94.5 t -50.88 -61.01 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.112 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -45.68 -51.42 12.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -45.44 -29.84 1.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.532 ' CD1' HG13 ' A' ' 49' ' ' VAL . 28.0 mt . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 121.632 0.729 . . . . 0.0 111.084 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.861 0.362 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -80.23 -44.41 19.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.8 m -52.28 -36.0 51.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.842 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.908 ' OD1' HG23 ' A' ' 44' ' ' VAL . 5.1 t0 -67.93 -38.72 83.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.829 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 100.86 -42.05 2.02 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.516 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.908 HG23 ' OD1' ' A' ' 42' ' ' ASP . 90.9 t -44.7 -37.18 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.857 0.36 . . . . 0.0 111.112 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.5 ' O ' HD13 ' A' ' 45' ' ' LEU . 0.3 OUTLIER -71.55 -45.75 61.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.968 179.939 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 93.2 t -45.29 -41.62 2.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.113 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.522 ' HA ' HD12 ' A' ' 50' ' ' ILE . . . -55.38 -52.93 61.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.058 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -46.54 -39.59 11.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.883 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.532 HG13 ' CD1' ' A' ' 27' ' ' ILE . 62.5 t -60.15 -38.29 76.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.137 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.522 HD12 ' HA ' ' A' ' 47' ' ' ALA . 23.6 mt -66.72 -29.75 47.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.112 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.431 ' HA ' ' CG2' ' A' ' 58' ' ' VAL . 19.1 tptm -50.52 -40.34 51.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -59.04 -27.13 65.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.87 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.558 ' CD2' ' HB3' ' A' ' 118' ' ' LEU . 66.3 m-85 -96.46 -67.21 0.86 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.963 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -133.33 129.51 20.76 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.648 0.737 . . . . 0.0 110.831 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -51.06 0.41 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.718 2.279 . . . . 0.0 112.345 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.8 ptmt -57.1 -27.98 62.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 74.7 mmm -72.17 -32.55 66.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.431 ' CG2' ' HA ' ' A' ' 51' ' ' LYS . 85.1 t -55.05 -68.88 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.124 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 61.05 52.74 3.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 11.5 mmt -89.38 48.37 1.6 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.859 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 40.6 t-80 -120.46 -49.55 2.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.828 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.496 ' OD1' ' N ' ' A' ' 63' ' ' TYR . 7.3 p30 -68.23 -51.42 45.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.496 ' N ' ' OD1' ' A' ' 62' ' ' ASN . 36.4 m-85 -57.9 154.6 11.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.601 HG13 ' HD2' ' A' ' 65' ' ' PRO . 84.7 t -145.55 136.96 12.75 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.638 0.732 . . . . 0.0 111.144 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.601 ' HD2' HG13 ' A' ' 64' ' ' VAL . 54.1 Cg_endo -69.75 114.2 3.62 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.714 2.276 . . . . 0.0 112.333 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -120.77 154.15 36.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.101 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -105.45 37.51 2.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 68.8 p -132.43 129.59 39.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.827 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.503 HD13 ' O ' ' A' ' 69' ' ' LEU . 0.7 OUTLIER -49.48 -57.34 7.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.943 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -38.69 -55.57 1.44 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.427 ' O ' ' C ' ' A' ' 72' ' ' LYS . 33.1 tp60 -58.17 -52.38 65.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.892 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 71' ' ' GLN . 13.1 mmtp -36.03 -56.12 0.74 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.88 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 15.8 mt -60.32 -43.17 96.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.924 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.9 t -47.47 -60.47 2.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 11.3 m-20 -45.24 -56.18 5.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.86 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.519 ' CZ2' HG21 ' A' ' 99' ' ' ILE . 40.7 m95 -47.02 -59.45 3.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.93 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -40.4 -41.13 2.15 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.515 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 34.6 m-70 -73.88 -47.02 41.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.801 0.334 . . . . 0.0 110.838 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.3 tp -58.96 -11.39 3.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.944 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.527 ' HA ' HD12 ' A' ' 84' ' ' LEU . 52.8 t-20 -84.35 -35.87 22.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 87.8 mtm180 -107.92 0.67 22.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -109.73 -29.74 8.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.935 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 53.8 t -116.75 -74.38 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.14 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.527 HD12 ' HA ' ' A' ' 80' ' ' ASN . 77.5 mt -38.97 -51.32 1.79 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 84' ' ' LEU . 28.6 tttm -36.76 -49.97 0.81 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.933 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 23.4 mmt180 -56.05 -40.0 72.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.481 ' N ' ' O ' ' A' ' 84' ' ' LEU . 17.6 mt -85.47 27.47 0.82 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 38.6 t30 41.01 30.49 0.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.937 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -103.79 136.51 43.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.921 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 79.2 p -128.75 145.27 51.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.579 HG13 ' HD2' ' A' ' 92' ' ' PRO . 91.2 t -142.14 136.4 14.94 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.642 0.734 . . . . 0.0 111.104 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.579 ' HD2' HG13 ' A' ' 91' ' ' VAL . 53.3 Cg_endo -69.82 155.78 64.85 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.63 2.22 . . . . 0.0 112.321 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -62.17 -20.03 63.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.897 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -71.07 -43.76 67.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.535 HG23 ' HG2' ' A' ' 92' ' ' PRO . 26.0 t -64.75 -28.79 45.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.115 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 10.3 mtm -73.23 -51.03 19.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 88.4 mtt180 -45.97 -40.2 10.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.802 ' CB ' HG11 ' A' ' 106' ' ' VAL . 72.6 mttt -64.49 -56.26 15.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.519 HG21 ' CZ2' ' A' ' 76' ' ' TRP . 77.8 mt -48.59 -56.73 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.154 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -59.63 -19.41 49.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 32.3 mm-40 -90.75 24.86 2.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 79.9 m 41.52 39.47 1.09 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -82.13 126.6 74.24 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.531 0.681 . . . . 0.0 111.159 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 134.46 28.03 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.672 2.248 . . . . 0.0 112.314 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 73.33 44.33 34.82 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.5 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.802 HG11 ' CB ' ' A' ' 98' ' ' LYS . 46.1 t -134.04 -59.24 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.822 0.344 . . . . 0.0 111.087 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.44 ' HB ' HG23 ' A' ' 99' ' ' ILE . 10.1 p -61.97 -37.81 79.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.134 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.403 ' HA ' HD12 ' A' ' 111' ' ' LEU . 55.9 mp0 -58.18 -38.41 76.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 19.6 mt -57.45 -19.23 22.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 46.3 t -104.35 -16.0 7.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.121 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.403 HD12 ' HA ' ' A' ' 108' ' ' GLU . 72.6 mt -84.63 -31.77 24.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.939 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.544 ' N ' ' HD2' ' A' ' 113' ' ' PRO . 4.7 mt -59.38 -57.44 26.97 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.6 0.714 . . . . 0.0 111.074 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.544 ' HD2' ' N ' ' A' ' 112' ' ' ILE . 53.6 Cg_endo -69.73 -26.58 27.58 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.652 2.235 . . . . 0.0 112.342 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 6.8 tp -63.97 -56.13 17.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.94 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.525 ' HD2' ' CD2' ' A' ' 23' ' ' TRP . 44.9 ttt-85 -56.86 -43.69 81.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.839 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 -51.63 -43.59 62.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 60.3 mmt-85 -69.9 -45.64 67.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.558 ' HB3' ' CD2' ' A' ' 53' ' ' TYR . 25.3 mt -52.16 -50.67 61.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -57.4 -38.06 73.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -59.82 -49.86 76.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.84 -41.46 82.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.959 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 74.3 mm-40 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.809 0.338 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.456 HD11 ' HB3' ' A' ' 111' ' ' LEU . 5.4 tp -67.07 -30.52 70.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -71.12 -21.57 62.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 63.5 mt -80.33 -46.14 16.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.924 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 3.8 t90 -45.67 -60.91 1.94 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 74.2 t -46.55 -42.5 5.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.144 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -43.38 -46.28 6.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 23.1 t30 -53.27 -52.89 57.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 27.5 mt . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 121.604 0.716 . . . . 0.0 111.149 179.902 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.498 ' O ' ' N ' ' A' ' 41' ' ' SER . 57.2 m-20 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.808 0.337 . . . . 0.0 110.827 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.438 ' C ' ' O ' ' A' ' 39' ' ' ASP . 3.3 m-85 -35.24 -31.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' ' 39' ' ' ASP . 30.0 t -42.73 -48.01 5.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.53 132.91 38.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.869 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -72.89 -36.31 57.64 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.493 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 47.5 t -46.54 -42.44 5.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.844 0.354 . . . . 0.0 111.117 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.474 ' CD2' ' HB3' ' A' ' 39' ' ' ASP . 32.4 tp -64.5 -56.1 16.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.931 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 58.2 t -39.35 -41.11 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.15 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -49.38 -44.9 45.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.108 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -58.04 -38.15 75.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 95.5 t -55.99 -32.8 34.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.116 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 34.3 mt -75.47 -34.68 30.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.094 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 17.2 tptp -43.78 -45.35 7.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -53.58 -40.53 65.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.58 ' CD1' HD13 ' A' ' 118' ' ' LEU . 83.5 m-85 -81.68 -62.25 1.7 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.883 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.406 ' CZ ' ' HB3' ' A' ' 121' ' ' ARG . 27.9 m-85 -133.12 122.54 17.39 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.638 0.733 . . . . 0.0 110.847 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -50.96 0.42 Allowed 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.695 2.263 . . . . 0.0 112.327 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 57' ' ' MET . 29.6 mttm -53.88 -56.6 16.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.925 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.408 ' C ' ' O ' ' A' ' 56' ' ' LYS . 33.5 mmm -36.74 -36.85 0.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 43.6 t -81.47 132.37 31.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.108 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -133.24 99.39 4.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 8.5 mmt -95.18 55.6 1.8 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 8.7 m80 -128.68 -30.5 2.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.408 ' OD1' ' CD1' ' A' ' 63' ' ' TYR . 5.0 p30 -94.49 -57.75 2.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.408 ' CD1' ' OD1' ' A' ' 62' ' ' ASN . 24.5 m-85 -56.26 155.28 6.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.932 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.647 HG13 ' HD2' ' A' ' 65' ' ' PRO . 87.2 t -148.66 138.7 12.93 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.591 0.71 . . . . 0.0 111.164 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.647 ' HD2' HG13 ' A' ' 64' ' ' VAL . 53.6 Cg_endo -69.79 108.61 2.12 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.693 2.262 . . . . 0.0 112.338 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.528 ' HB3' ' HB3' ' A' ' 71' ' ' GLN . . . -125.14 161.77 26.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.083 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -118.19 25.07 10.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.85 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.1 t -118.17 130.46 56.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -39.98 -54.8 2.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.955 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -44.37 -59.29 2.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.528 ' HB3' ' HB3' ' A' ' 66' ' ' ALA . 6.2 mm-40 -57.86 -47.93 81.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.9 mmpt? -42.73 -65.63 0.45 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.66 HD11 ' HD2' ' A' ' 97' ' ' ARG . 15.2 mt -60.5 -44.88 95.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.944 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.5 t -40.45 -48.2 2.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 50.1 m-20 -63.81 -53.47 50.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.869 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.546 ' CZ2' HG21 ' A' ' 99' ' ' ILE . 60.9 m95 -46.46 -51.95 14.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.952 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -52.27 -39.79 51.73 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.48 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -70.73 -42.12 70.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.848 0.356 . . . . 0.0 110.892 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.8 tp -63.74 -22.98 67.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.639 ' HA ' HD12 ' A' ' 84' ' ' LEU . 37.0 t-20 -74.11 -30.71 62.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 81.2 mtt180 -105.87 3.42 28.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.913 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.9 mmmp? -118.07 -29.34 5.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.421 ' O ' ' C ' ' A' ' 84' ' ' LEU . 87.3 t -117.86 -74.68 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.141 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.639 HD12 ' HA ' ' A' ' 80' ' ' ASN . 83.2 mt -36.28 -60.73 0.55 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.963 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 84' ' ' LEU . 0.0 OUTLIER -35.88 -56.69 0.7 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.842 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 13.5 mmm180 -54.05 -40.29 67.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.897 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.462 ' N ' ' O ' ' A' ' 84' ' ' LEU . 16.1 mt -86.48 29.58 0.77 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.944 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 40.18 37.52 0.42 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -111.86 142.08 44.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.848 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 89.7 p -142.02 148.11 37.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.826 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.676 HG13 ' HD2' ' A' ' 92' ' ' PRO . 93.0 t -151.37 138.82 12.31 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.618 0.723 . . . . 0.0 111.106 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.676 ' HD2' HG13 ' A' ' 91' ' ' VAL . 53.9 Cg_endo -69.8 166.03 29.03 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.697 2.265 . . . . 0.0 112.358 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.18 -48.69 67.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -43.03 -42.74 3.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.586 HG23 ' HG2' ' A' ' 92' ' ' PRO . 71.4 t -70.03 -40.62 78.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.162 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.533 ' HA ' HD12 ' A' ' 99' ' ' ILE . 5.5 mtm -60.95 -53.7 54.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.841 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.66 ' HD2' HD11 ' A' ' 73' ' ' LEU . 22.7 mmm-85 -42.96 -52.35 5.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.84 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 34.0 mttm -54.47 -45.46 73.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.546 HG21 ' CZ2' ' A' ' 76' ' ' TRP . 87.8 mt -54.29 -55.6 13.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -61.47 -14.44 28.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.105 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 22.5 mm-40 -95.73 11.28 34.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.936 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 51.3 m 57.32 54.2 6.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.515 ' CB ' HG21 ' A' ' 106' ' ' VAL . . . -90.2 125.21 60.99 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.59 0.71 . . . . 0.0 111.115 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 132.8 24.02 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.716 2.277 . . . . 0.0 112.359 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 82.81 -13.52 42.48 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.497 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.515 HG21 ' CB ' ' A' ' 103' ' ' ALA . 89.0 t -79.58 -72.63 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.901 0.382 . . . . 0.0 111.131 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 3.5 p -49.55 -38.07 12.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.114 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.417 ' HG2' ' CD2' ' A' ' 20' ' ' LEU . 41.4 mt-10 -56.57 -45.51 81.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.459 HD12 ' HA ' ' A' ' 106' ' ' VAL . 12.1 mt -48.67 -24.41 1.36 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.933 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 11.3 t -96.8 -23.58 4.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.144 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.456 ' HB3' HD11 ' A' ' 20' ' ' LEU . 93.2 mt -78.72 -42.79 27.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.523 ' N ' ' HD2' ' A' ' 113' ' ' PRO . 2.9 mt -42.92 -58.36 4.02 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.597 0.713 . . . . 0.0 111.12 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.523 ' HD2' ' N ' ' A' ' 112' ' ' ILE . 53.6 Cg_endo -69.75 -35.93 11.75 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.644 2.229 . . . . 0.0 112.358 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 6.2 tp -41.38 -63.63 0.67 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.416 ' HD3' ' C ' ' A' ' 115' ' ' ARG . 0.0 OUTLIER -53.64 -45.35 70.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 179.926 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -55.01 -35.42 64.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 11.7 mmp_? -75.31 -52.07 11.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.884 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.58 HD13 ' CD1' ' A' ' 53' ' ' TYR . 60.8 mt -49.79 -36.86 27.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.952 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -56.53 -52.68 63.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -60.89 -46.11 91.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.439 ' HG3' ' CD2' ' A' ' 87' ' ' LEU . 10.8 mmm180 -52.69 -39.97 62.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.915 -179.941 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 47.3 mm-40 . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.801 0.334 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.1 tp -69.68 -39.43 76.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.924 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -65.77 -51.16 61.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.935 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.2 mt -53.98 -51.95 62.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.876 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.571 ' CZ2' ' HB3' ' A' ' 115' ' ' ARG . 4.3 t90 -40.17 -45.26 1.99 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.519 HG23 ' CE3' ' A' ' 23' ' ' TRP . 58.1 t -79.45 -50.13 18.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.103 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 52.2 m-20 -41.95 -42.05 2.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -61.9 -48.27 81.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 90.5 mt . . . . . 0 C--N 1.329 -0.283 0 CA-C-O 121.646 0.736 . . . . 0.0 111.111 179.932 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 37.5 t0 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.888 0.375 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -85.77 -33.59 21.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.862 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.7 t -41.48 -33.7 0.46 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.866 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -83.84 123.09 29.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.893 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.83 -21.64 75.19 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.505 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.519 HG21 ' HA ' ' A' ' 65' ' ' PRO . 24.5 t -54.32 -18.19 2.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.841 0.353 . . . . 0.0 111.14 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 22.7 tp -99.65 -48.26 4.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.936 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 78.3 t -45.41 -37.85 2.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.161 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.62 -44.65 95.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.097 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -51.54 -50.23 60.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 90.0 t -45.4 -45.79 3.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.13 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 56.5 mt -60.92 -35.64 66.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.141 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 7.7 tptm -45.81 -55.87 6.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.94 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -45.43 -47.13 13.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -74.88 -67.29 0.66 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.94 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -124.62 105.68 30.1 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.65 0.738 . . . . 0.0 110.894 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -47.83 0.84 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.697 2.265 . . . . 0.0 112.325 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 42.4 mtpt -55.64 -44.51 77.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 64.5 mmm -55.92 -38.18 69.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.909 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 56.0 t -72.45 124.8 29.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.13 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -130.79 48.41 2.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.406 ' O ' ' N ' ' A' ' 62' ' ' ASN . 17.0 mtp -55.61 -19.19 9.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -43.25 -23.94 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.406 ' N ' ' O ' ' A' ' 60' ' ' MET . 67.3 m-20 -98.27 -40.42 8.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.863 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -72.41 141.92 48.68 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.933 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.637 HG13 ' HD2' ' A' ' 65' ' ' PRO . 98.0 t -140.99 138.37 17.94 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.643 0.735 . . . . 0.0 111.152 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.637 ' HD2' HG13 ' A' ' 64' ' ' VAL . 53.8 Cg_endo -69.73 110.57 2.58 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.645 2.23 . . . . 0.0 112.374 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -118.79 124.86 48.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.085 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -55.03 -32.22 61.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 50.7 m -63.1 139.97 58.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.53 HD13 ' O ' ' A' ' 69' ' ' LEU . 1.0 OUTLIER -69.55 -57.64 4.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.93 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.441 ' C ' ' O ' ' A' ' 69' ' ' LEU . 78.2 mt-30 -34.58 -45.26 0.23 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 22.0 tp60 -57.98 -54.11 50.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.957 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.4 mmpt? -41.67 -60.36 1.37 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.894 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.56 HD21 ' HA ' ' A' ' 97' ' ' ARG . 14.6 mt -52.62 -48.66 66.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.896 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 4.2 t -53.45 -41.38 66.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.845 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -66.66 -56.31 11.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.526 ' CZ2' HG21 ' A' ' 99' ' ' ILE . 40.0 m95 -45.0 -51.27 10.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.914 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -49.56 -39.69 30.64 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.47 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 40.2 m170 -69.77 -44.59 69.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.821 0.343 . . . . 0.0 110.824 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.7 tp -59.66 -16.53 27.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.789 ' HA ' HD12 ' A' ' 84' ' ' LEU . 54.0 t-20 -79.61 -37.88 35.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 30.9 mtm180 -102.84 4.76 38.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 30.0 mmtt -116.65 -34.62 4.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 96.4 t -112.06 -74.73 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.789 HD12 ' HA ' ' A' ' 80' ' ' ASN . 24.3 mt -43.03 -42.75 3.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 6.3 tmtm? -44.43 -46.9 9.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.929 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 -74.71 -20.19 59.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.422 ' N ' ' O ' ' A' ' 84' ' ' LEU . 65.2 mt -96.27 20.32 10.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 44.25 31.28 0.54 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -111.75 131.25 55.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.838 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 82.8 p -121.07 150.71 40.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 13.4 t -152.15 130.24 6.1 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.594 0.711 . . . . 0.0 111.157 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 176.47 6.72 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.722 2.281 . . . . 0.0 112.335 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -79.57 -41.43 27.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.854 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 9.3 p30 -50.0 -34.82 22.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 54.8 t -79.09 -36.44 18.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.157 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.582 ' HA ' HD12 ' A' ' 99' ' ' ILE . 5.5 mtm -67.44 -51.13 55.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.56 ' HA ' HD21 ' A' ' 73' ' ' LEU . 33.7 mtp180 -43.64 -46.44 7.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.56 ' HB2' HG11 ' A' ' 106' ' ' VAL . 68.7 mttt -63.2 -44.76 94.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.582 HD12 ' HA ' ' A' ' 96' ' ' MET . 91.4 mt -52.35 -52.42 25.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.161 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.2 -23.61 64.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.058 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 -81.25 12.46 3.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.949 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 64.0 m 54.0 46.91 24.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -98.32 121.36 57.16 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.561 0.696 . . . . 0.0 111.143 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 151.7 69.24 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.676 2.251 . . . . 0.0 112.343 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 76.21 15.18 81.62 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.506 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.56 HG11 ' HB2' ' A' ' 98' ' ' LYS . 51.0 t -118.87 -65.61 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.883 0.373 . . . . 0.0 111.116 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 1.6 p -56.52 -35.22 43.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.137 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -59.74 -40.31 87.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 79.5 mt -52.64 -20.88 3.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.94 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 85.3 t -100.57 -23.69 4.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.154 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 86.4 mt -72.69 -40.75 65.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.531 ' N ' ' HD2' ' A' ' 113' ' ' PRO . 3.8 mt -53.24 -57.86 14.96 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.614 0.721 . . . . 0.0 111.138 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.531 ' HD2' ' N ' ' A' ' 112' ' ' ILE . 53.4 Cg_endo -69.84 -35.86 11.63 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.65 2.233 . . . . 0.0 112.32 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 5.9 tp -48.07 -61.55 1.92 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.914 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.571 ' HB3' ' CZ2' ' A' ' 23' ' ' TRP . 51.1 ptt85 -55.37 -43.62 75.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . 0.408 ' N ' ' HG3' ' A' ' 115' ' ' ARG . 39.2 mm-40 -53.13 -42.24 65.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.954 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 43.8 mmt-85 -68.1 -55.28 13.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 10.2 mt -50.2 -40.84 48.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -55.18 -52.23 63.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.86 -49.63 74.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -57.04 -36.77 70.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.854 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.949 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.47 ' HA ' HD12 ' A' ' 22' ' ' LEU . 46.4 mm-40 . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.838 0.351 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.696 HD22 ' OE2' ' A' ' 108' ' ' GLU . 7.2 tp -73.72 -35.72 65.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -72.59 -22.67 60.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.47 HD12 ' HA ' ' A' ' 19' ' ' GLN . 10.2 mt -85.75 -41.76 14.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.904 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 4.4 t90 -53.82 -39.63 65.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.898 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.441 ' O ' ' C ' ' A' ' 25' ' ' ASP . 92.8 t -69.62 -52.49 31.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.121 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.441 ' C ' ' O ' ' A' ' 24' ' ' VAL . 2.4 t70 -35.01 -52.3 0.55 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 35.9 t30 -38.32 -53.43 1.49 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.534 ' CD1' HG13 ' A' ' 49' ' ' VAL . 25.8 mt . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 121.609 0.718 . . . . 0.0 111.156 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.43 ' O ' ' C ' ' A' ' 40' ' ' PHE . 8.9 t0 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.815 0.34 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.45 ' N ' HD23 ' A' ' 45' ' ' LEU . 10.0 m-85 -35.46 -54.68 0.67 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.849 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 40' ' ' PHE . 42.6 t -37.09 -45.23 0.59 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 -179.791 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.546 ' CG ' ' N ' ' A' ' 43' ' ' GLY . 0.3 OUTLIER -43.73 -55.44 4.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 179.927 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.546 ' N ' ' CG ' ' A' ' 42' ' ' ASP . . . 117.59 -39.12 2.72 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.479 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.416 ' N ' ' OD2' ' A' ' 42' ' ' ASP . 22.0 t -62.34 -40.98 89.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.843 0.354 . . . . 0.0 111.13 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.476 ' O ' HD12 ' A' ' 45' ' ' LEU . 4.9 tp -63.91 -43.22 96.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.909 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 95.9 t -50.16 -47.88 24.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.137 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.409 ' O ' HG21 ' A' ' 58' ' ' VAL . . . -50.44 -54.04 25.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.083 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -45.73 -48.52 15.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.861 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.534 HG13 ' CD1' ' A' ' 27' ' ' ILE . 89.9 t -50.2 -54.66 7.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.156 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 92.9 mt -50.37 -44.17 23.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.168 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.468 ' CD ' ' HA ' ' A' ' 55' ' ' PRO . 4.0 tppp? -38.61 -58.42 1.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.411 ' C ' ' O ' ' A' ' 51' ' ' LYS . 27.7 t80 -37.62 -52.62 1.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 58.0 m-85 -73.13 -54.64 7.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.954 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.406 ' HA ' ' HD2' ' A' ' 55' ' ' PRO . 31.7 m-85 -129.96 97.52 23.38 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.635 0.731 . . . . 0.0 110.9 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.468 ' HA ' ' CD ' ' A' ' 51' ' ' LYS . 53.4 Cg_endo -69.7 -22.04 32.92 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.731 2.287 . . . . 0.0 112.344 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.406 ' HG3' ' N ' ' A' ' 57' ' ' MET . 16.0 pttp -78.87 -31.41 45.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.406 ' N ' ' HG3' ' A' ' 56' ' ' LYS . 21.2 mmm -64.28 -49.54 71.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.409 HG21 ' O ' ' A' ' 47' ' ' ALA . 93.2 t -76.33 139.09 19.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.115 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -115.61 -49.21 2.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 15.7 mmt 61.45 43.94 9.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 13.4 m170 -122.01 -34.18 3.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -95.82 -37.1 10.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 52.3 m-85 -70.91 136.32 48.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.602 HG13 ' HD2' ' A' ' 65' ' ' PRO . 89.6 t -138.15 136.78 19.83 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.631 0.729 . . . . 0.0 111.141 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.602 ' HD2' HG13 ' A' ' 64' ' ' VAL . 54.6 Cg_endo -69.71 97.42 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.726 2.284 . . . . 0.0 112.378 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -116.81 166.95 11.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.103 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -101.78 -40.09 7.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 16.2 m -46.06 140.83 3.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 32.9 tp -62.35 -47.72 82.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.914 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -51.57 -47.57 63.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -56.37 -52.04 66.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.438 ' NZ ' ' HA ' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -45.13 -67.74 0.26 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.474 ' HG ' ' CB ' ' A' ' 100' ' ' ALA . 13.6 mt -52.78 -50.33 63.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.553 ' O ' ' CE1' ' A' ' 78' ' ' HIS . 2.5 t -46.39 -36.2 6.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.871 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 -76.82 -47.6 20.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.418 ' CZ2' HG21 ' A' ' 99' ' ' ILE . 37.3 m95 -56.65 -54.6 44.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.896 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -43.33 -41.03 4.92 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.475 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.553 ' CE1' ' O ' ' A' ' 74' ' ' SER . 0.3 OUTLIER -67.86 -49.81 59.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.86 0.362 . . . . 0.0 110.825 -179.929 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.9 tp -56.28 -13.16 1.95 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.629 ' HA ' HD12 ' A' ' 84' ' ' LEU . 35.0 t-20 -82.48 -23.66 34.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 41.4 mtp180 -111.79 -19.57 12.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -92.49 -33.35 14.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.461 ' O ' ' C ' ' A' ' 84' ' ' LEU . 72.7 t -112.67 -76.5 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.121 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.629 HD12 ' HA ' ' A' ' 80' ' ' ASN . 73.7 mt -33.53 -53.07 0.41 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.933 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 12.1 tptp -43.15 -51.37 5.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 14.9 mmt85 -59.74 -31.08 69.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.463 HD22 ' HB3' ' A' ' 117' ' ' ARG . 9.6 mt -91.75 27.13 2.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.94 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 1.6 t30 41.38 34.88 0.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -108.54 161.36 15.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 22.8 p -154.81 131.65 10.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.653 HG13 ' HD2' ' A' ' 92' ' ' PRO . 84.3 t -127.58 138.63 33.25 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.608 0.718 . . . . 0.0 111.142 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.653 ' HD2' HG13 ' A' ' 91' ' ' VAL . 54.2 Cg_endo -69.72 159.19 54.38 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.685 2.257 . . . . 0.0 112.345 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -68.5 -15.96 63.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -75.64 -44.03 44.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.869 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.408 HG23 ' HG2' ' A' ' 92' ' ' PRO . 18.4 t -64.17 -28.95 46.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.101 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 6.7 mtm -67.55 -48.7 66.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 65.7 mmt-85 -48.54 -38.43 20.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.499 ' HB2' HG11 ' A' ' 106' ' ' VAL . 21.3 mttp -68.19 -59.82 2.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.909 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.418 HG21 ' CZ2' ' A' ' 76' ' ' TRP . 66.4 mt -46.18 -47.13 6.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.114 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.474 ' CB ' ' HG ' ' A' ' 73' ' ' LEU . . . -65.59 -27.88 68.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.09 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 51.7 mm-40 -80.38 6.52 11.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 32.8 m 60.45 53.59 4.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.933 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -96.09 123.75 54.13 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.562 0.696 . . . . 0.0 111.088 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 121.22 7.91 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.645 2.23 . . . . 0.0 112.348 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 112.92 -57.33 0.44 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.478 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.499 HG11 ' HB2' ' A' ' 98' ' ' LYS . 45.0 t -46.49 -52.74 3.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.91 0.386 . . . . 0.0 111.154 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.589 HG13 ' N ' ' A' ' 108' ' ' GLU . 10.7 p -63.47 -48.38 87.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.111 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.696 ' OE2' HD22 ' A' ' 20' ' ' LEU . 9.7 tm-20 -53.6 -41.93 67.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 69.7 mt -58.25 -23.93 57.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 106' ' ' VAL . 5.6 t -92.0 -26.9 4.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.104 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 77.2 mt -73.44 -36.8 65.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.918 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.534 ' N ' ' HD2' ' A' ' 113' ' ' PRO . 3.8 mt -56.11 -57.81 20.12 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.597 0.713 . . . . 0.0 111.142 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.534 ' HD2' ' N ' ' A' ' 112' ' ' ILE . 53.0 Cg_endo -69.82 -38.75 7.24 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.654 2.236 . . . . 0.0 112.314 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 9.3 tp -48.37 -46.9 37.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.919 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 30.3 ttt180 -63.53 -46.35 86.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.909 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -46.58 -38.81 10.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.463 ' HB3' HD22 ' A' ' 87' ' ' LEU . 22.6 mmm180 -72.92 -55.41 6.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.422 ' C ' ' O ' ' A' ' 117' ' ' ARG . 29.5 mt -36.2 -43.25 0.34 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -74.84 -44.43 49.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.903 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 117' ' ' ARG . 9.4 mt-10 -45.98 -23.13 0.26 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.868 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 43.1 mtt-85 -91.99 -43.74 9.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.956 -179.935 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 25.6 mm100 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.786 0.327 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.0 tp -68.34 -43.73 76.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -60.11 -45.01 94.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 21.4 mt -59.8 -38.73 82.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.909 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.466 ' CZ2' ' HB2' ' A' ' 115' ' ' ARG . 12.3 t90 -55.7 -34.23 64.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.428 ' O ' ' C ' ' A' ' 25' ' ' ASP . 83.3 t -84.09 -49.27 16.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.124 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 24' ' ' VAL . 6.3 t70 -35.3 -48.35 0.46 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -47.51 -49.77 25.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.457 HG23 ' CD2' ' A' ' 52' ' ' PHE . 22.6 mt . . . . . 0 C--N 1.329 -0.284 0 CA-C-O 121.626 0.727 . . . . 0.0 111.161 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.796 ' OD1' HD22 ' A' ' 45' ' ' LEU . 44.5 t0 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.846 0.355 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.492 ' O ' ' N ' ' A' ' 42' ' ' ASP . 6.0 m-85 -78.11 -40.35 38.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 40' ' ' PHE . 40.2 t -35.56 -31.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.882 -179.801 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.492 ' N ' ' O ' ' A' ' 40' ' ' PHE . 1.2 p30 -93.11 99.03 11.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.898 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 42' ' ' ASP . . . -34.77 -35.22 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.456 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.584 HG21 ' HA ' ' A' ' 65' ' ' PRO . 98.8 t -38.3 -56.2 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.816 0.341 . . . . 0.0 111.089 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.796 HD22 ' OD1' ' A' ' 39' ' ' ASP . 20.7 tp -58.84 -46.62 87.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 94.6 t -46.75 -55.42 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.157 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.509 ' HA ' HD12 ' A' ' 50' ' ' ILE . . . -46.91 -45.64 20.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.109 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 -47.14 -52.69 14.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.926 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 87.8 t -45.6 -58.28 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.099 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.509 HD12 ' HA ' ' A' ' 47' ' ' ALA . 38.2 mt -43.15 -42.65 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.098 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.447 ' O ' ' C ' ' A' ' 52' ' ' PHE . 0.2 OUTLIER -42.18 -61.58 1.13 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.847 179.897 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.457 ' CD2' HG23 ' A' ' 27' ' ' ILE . 5.9 t80 -34.66 -42.36 0.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -82.32 -56.83 3.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.403 ' CZ ' ' HB3' ' A' ' 121' ' ' ARG . 29.3 m-85 -134.18 114.51 12.68 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.682 0.753 . . . . 0.0 110.87 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -31.77 20.07 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.696 2.264 . . . . 0.0 112.337 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 57' ' ' MET . 23.2 mtpp -70.68 -61.61 1.7 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.431 ' C ' ' O ' ' A' ' 56' ' ' LYS . 50.6 mtp -36.2 -39.25 0.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 85.7 t -68.57 119.28 14.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.115 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -117.34 42.77 2.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.417 ' O ' ' C ' ' A' ' 61' ' ' HIS . 11.8 tpp -55.66 -39.26 70.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.866 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.417 ' C ' ' O ' ' A' ' 60' ' ' MET . 4.5 t-160 -36.26 -34.38 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.851 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.414 ' N ' ' O ' ' A' ' 60' ' ' MET . 1.4 m-20 -87.93 -52.53 5.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 91.9 m-85 -57.02 161.2 3.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.922 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.684 HG13 ' HD2' ' A' ' 65' ' ' PRO . 98.5 t -152.82 138.86 11.99 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.603 0.716 . . . . 0.0 111.165 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.684 ' HD2' HG13 ' A' ' 64' ' ' VAL . 53.7 Cg_endo -69.75 103.27 1.13 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.69 2.26 . . . . 0.0 112.361 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -95.09 169.47 10.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.101 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 9.5 m-20 -111.79 -37.54 5.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.887 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 24.3 t -71.33 112.67 7.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 23.0 tp -38.07 -38.29 0.32 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 90.2 mm-40 -53.18 -56.89 12.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.434 ' O ' ' C ' ' A' ' 72' ' ' LYS . 36.4 tp60 -56.27 -48.11 77.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 71' ' ' GLN . 11.5 mmmm -35.78 -60.23 0.54 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.91 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 12.9 mt -49.28 -50.56 38.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 23.0 t -41.52 -46.05 3.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 27.8 m-20 -63.0 -59.88 4.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.904 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 38.1 m95 -43.95 -58.27 2.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.96 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -38.86 -57.49 1.98 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.466 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.446 ' O ' ' N ' ' A' ' 82' ' ' LYS . 33.3 m80 -53.64 -43.38 68.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.791 0.329 . . . . 0.0 110.845 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.4 tp -53.84 -25.43 19.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.686 ' HA ' HD12 ' A' ' 84' ' ' LEU . 59.1 t-20 -68.27 -37.15 80.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 23.6 mmm180 -110.45 1.31 18.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.834 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 78' ' ' HIS . 32.4 mmtt -104.66 -27.86 11.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.894 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.428 ' O ' ' C ' ' A' ' 84' ' ' LEU . 44.2 t -128.99 -69.29 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.132 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.686 HD12 ' HA ' ' A' ' 80' ' ' ASN . 78.3 mt -36.26 -55.22 0.81 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 34.7 tttm -40.15 -49.71 2.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.942 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.424 ' HB3' ' NH1' ' A' ' 86' ' ' ARG . 6.0 mmm180 -56.24 -39.99 73.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.41 ' O ' ' C ' ' A' ' 88' ' ' ASN . 10.5 mt -92.86 33.01 1.18 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.943 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 87' ' ' LEU . 4.2 m120 37.09 36.4 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -105.24 134.8 47.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 57.0 p -123.6 147.31 47.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 85.7 t -149.74 125.43 5.0 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.655 0.74 . . . . 0.0 111.095 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.494 ' HG2' HG23 ' A' ' 95' ' ' VAL . 53.7 Cg_endo -69.77 135.4 30.33 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.651 2.234 . . . . 0.0 112.302 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -42.56 -36.65 1.42 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -51.88 -54.7 26.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.494 HG23 ' HG2' ' A' ' 92' ' ' PRO . 42.5 t -57.64 -37.8 60.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.141 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 11.1 mtm -62.96 -47.77 81.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.87 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 11.5 mmm180 -45.5 -49.63 13.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.878 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.455 ' HB3' ' CB ' ' A' ' 103' ' ' ALA . 23.2 mttm -61.05 -60.98 2.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.855 HG23 ' HB ' ' A' ' 107' ' ' VAL . 85.4 mt -38.88 -67.63 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.122 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -49.71 -31.94 12.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.131 179.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.432 ' O ' ' C ' ' A' ' 102' ' ' CYS . 12.1 mm-40 -86.78 33.53 0.65 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . 0.432 ' C ' ' O ' ' A' ' 101' ' ' GLN . 21.8 p 34.69 38.37 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.64 ' HB1' ' HD2' ' A' ' 104' ' ' PRO . . . -55.29 162.47 2.16 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.587 0.708 . . . . 0.0 111.09 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.64 ' HD2' ' HB1' ' A' ' 103' ' ' ALA . 53.4 Cg_endo -69.75 114.72 3.79 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.682 2.254 . . . . 0.0 112.323 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 104' ' ' PRO . . . 36.14 81.18 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.451 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.425 HG11 ' HB2' ' A' ' 98' ' ' LYS . 74.9 t -134.83 -54.5 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.87 0.367 . . . . 0.0 111.189 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.855 ' HB ' HG23 ' A' ' 99' ' ' ILE . 12.0 p -57.76 -28.34 32.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.14 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.4 ' HA ' HD12 ' A' ' 111' ' ' LEU . 39.5 mp0 -61.24 -45.01 96.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 20.9 mt -48.33 -22.48 0.7 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.929 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 40.8 t -100.29 -27.23 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.164 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.4 HD12 ' HA ' ' A' ' 108' ' ' GLU . 81.0 mt -71.65 -43.04 66.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.525 ' N ' ' HD2' ' A' ' 113' ' ' PRO . 3.7 mt -51.09 -57.92 12.2 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.599 0.714 . . . . 0.0 111.085 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.525 ' HD2' ' N ' ' A' ' 112' ' ' ILE . 54.1 Cg_endo -69.74 -21.23 33.88 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.685 2.257 . . . . 0.0 112.377 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 7.4 tp -52.86 -54.48 33.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.466 ' HB2' ' CZ2' ' A' ' 23' ' ' TRP . 26.7 ttt180 -57.92 -45.3 86.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 11.9 mm-40 -49.84 -55.1 15.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -58.33 -50.89 72.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.405 HD12 ' HA ' ' A' ' 115' ' ' ARG . 35.5 mt -51.02 -46.31 61.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -47.43 -50.15 23.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -56.31 -24.44 43.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.403 ' HB3' ' CZ ' ' A' ' 54' ' ' PHE . 6.8 mmt180 -88.94 -38.1 14.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 -179.995 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.545 ' HA ' HD12 ' A' ' 22' ' ' LEU . 28.5 mm100 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.812 0.339 . . . . 0.0 110.855 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.709 HD22 HG13 ' A' ' 112' ' ' ILE . 20.7 tp -68.95 -37.19 78.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.546 ' CE1' ' OE1' ' A' ' 108' ' ' GLU . 10.6 m-85 -63.06 -41.33 99.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.943 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.545 HD12 ' HA ' ' A' ' 19' ' ' GLN . 14.0 mt -60.31 -52.75 63.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.892 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.577 ' CH2' HG11 ' A' ' 49' ' ' VAL . 20.0 t90 -39.32 -41.5 0.92 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.921 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.456 ' HA ' HD12 ' A' ' 27' ' ' ILE . 79.4 t -68.9 -38.48 78.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.155 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 22' ' ' LEU . 52.1 m-20 -63.58 -43.97 95.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.425 ' ND2' ' HA ' ' A' ' 23' ' ' TRP . 3.4 m-20 -53.43 -50.85 64.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.803 HD13 HG13 ' A' ' 49' ' ' VAL . 19.6 mt . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 121.645 0.736 . . . . 0.0 111.088 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.806 0.336 . . . . 0.0 110.854 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -43.72 -36.09 2.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 40.9 t -47.96 -40.34 22.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.868 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.432 ' HA ' ' CD ' ' A' ' 72' ' ' LYS . 1.1 m-20 -57.27 -43.26 82.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.846 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 112.44 -38.82 3.09 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.499 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 55.4 t -45.34 -51.93 2.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.853 0.359 . . . . 0.0 111.109 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -50.31 -57.46 7.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 93.5 t -43.03 -37.18 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.132 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.89 -53.2 34.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.075 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -49.81 -44.83 49.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.844 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.803 HG13 HD13 ' A' ' 27' ' ' ILE . 79.5 t -49.29 -51.53 13.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.12 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 38.1 mt -53.94 -41.37 49.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.16 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.2 tmtp? -37.08 -55.99 0.92 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -43.19 -45.05 5.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.864 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -75.66 -46.51 30.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.945 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.486 ' CZ ' ' HB3' ' A' ' 121' ' ' ARG . 55.2 m-85 -147.47 120.48 4.8 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.645 0.736 . . . . 0.0 110.835 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -38.49 7.7 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.649 2.232 . . . . 0.0 112.333 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 57' ' ' MET . 19.0 ptmt -65.38 -55.27 19.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.44 ' SD ' ' CD2' ' A' ' 54' ' ' PHE . 75.0 mtp -37.11 -55.1 0.97 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 72.5 t -65.2 114.57 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.127 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -118.38 99.67 6.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.87 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 90.0 mmm -89.88 53.52 2.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 61.7 t60 -112.47 -39.12 4.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.91 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.432 ' OD1' ' CE1' ' A' ' 63' ' ' TYR . 6.0 p30 -100.23 -26.89 13.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.432 ' CE1' ' OD1' ' A' ' 62' ' ' ASN . 21.9 m-85 -78.97 146.81 33.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.656 HG13 ' HD2' ' A' ' 65' ' ' PRO . 93.6 t -156.84 138.54 9.93 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.659 0.742 . . . . 0.0 111.146 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.656 ' HD2' HG13 ' A' ' 64' ' ' VAL . 53.9 Cg_endo -69.77 117.61 5.18 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.714 2.276 . . . . 0.0 112.34 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -129.18 -179.31 5.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 -118.79 -44.35 2.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 9.0 t -56.5 128.76 37.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.853 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 12.9 tp -52.78 -44.94 66.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.895 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 11.1 tp-100 -39.79 -50.14 2.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 72' ' ' LYS . 60.2 tp60 -62.59 -47.32 84.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.432 ' CD ' ' HA ' ' A' ' 42' ' ' ASP . 25.7 mmtm -37.07 -62.76 0.47 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.928 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 14.6 mt -54.84 -46.77 74.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 37.0 t -49.92 -59.91 3.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -48.83 -66.32 0.42 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.841 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.48 ' CZ2' HG21 ' A' ' 99' ' ' ILE . 40.5 m95 -39.82 -54.93 2.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -38.8 -60.6 1.47 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.541 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 12.4 m-70 -54.28 -36.77 63.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.845 0.355 . . . . 0.0 110.886 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.3 tp -61.79 -20.78 63.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.401 ' HA ' HD12 ' A' ' 84' ' ' LEU . 64.5 t-20 -79.84 -28.71 40.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.851 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 9.8 mtt85 -110.21 1.87 18.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.49 -35.94 5.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.441 ' O ' ' C ' ' A' ' 84' ' ' LEU . 92.7 t -112.3 -71.9 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.146 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.441 ' C ' ' O ' ' A' ' 83' ' ' VAL . 41.2 mt -35.0 -57.99 0.54 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 84' ' ' LEU . 9.7 tppt? -35.84 -57.53 0.67 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 19.7 mmt180 -52.54 -44.68 65.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.426 ' O ' ' C ' ' A' ' 88' ' ' ASN . 10.8 mt -86.43 31.77 0.65 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.426 ' C ' ' O ' ' A' ' 87' ' ' LEU . 16.0 m120 36.22 38.6 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -108.91 147.37 32.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 87.5 p -137.89 147.02 44.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.836 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 12.2 t -149.08 130.77 7.42 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.64 0.733 . . . . 0.0 111.126 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.598 ' HG2' HG23 ' A' ' 95' ' ' VAL . 53.2 Cg_endo -69.79 176.0 7.38 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.672 2.248 . . . . 0.0 112.34 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -75.14 -46.75 32.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.843 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -44.68 -51.01 9.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.598 HG23 ' HG2' ' A' ' 92' ' ' PRO . 97.0 t -59.97 -43.05 91.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.155 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.512 ' HA ' HD12 ' A' ' 99' ' ' ILE . 6.1 mtm -61.51 -45.51 93.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -49.3 -48.53 46.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.541 ' HB2' HG11 ' A' ' 106' ' ' VAL . 31.4 mtpt -57.21 -56.17 25.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.512 HD12 ' HA ' ' A' ' 96' ' ' MET . 30.9 mt -47.44 -55.7 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.13 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -59.08 -22.82 61.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -84.91 14.16 5.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.954 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 38.9 t 58.77 40.17 23.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.883 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -77.74 118.34 71.46 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.587 0.708 . . . . 0.0 111.092 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.83 119.37 6.33 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.658 2.238 . . . . 0.0 112.333 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 105.83 -52.74 0.68 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.453 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.541 HG11 ' HB2' ' A' ' 98' ' ' LYS . 60.4 t -43.79 -62.52 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.895 0.378 . . . . 0.0 111.142 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 8.3 p -45.65 -38.68 2.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.101 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.546 ' OE1' ' CE1' ' A' ' 21' ' ' TYR . 4.9 mm-40 -64.3 -35.83 82.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 87.2 mt -53.68 -19.76 4.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 72.4 t -105.97 -25.23 3.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.162 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.421 HD12 ' OE2' ' A' ' 108' ' ' GLU . 75.8 mt -72.3 -39.44 68.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.945 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.709 HG13 HD22 ' A' ' 20' ' ' LEU . 3.7 mt -55.28 -57.88 17.98 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.605 0.716 . . . . 0.0 111.14 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.536 ' HD2' ' N ' ' A' ' 112' ' ' ILE . 53.6 Cg_endo -69.76 -35.97 11.66 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.675 2.25 . . . . 0.0 112.347 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 7.3 tt -58.09 -56.42 22.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.95 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.488 ' HA ' HD12 ' A' ' 118' ' ' LEU . 20.2 ttt180 -53.48 -40.41 65.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 7.3 mm100 -53.02 -56.02 19.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.935 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.431 ' O ' ' N ' ' A' ' 120' ' ' GLU . 9.4 mpt_? -52.46 -53.41 45.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.488 HD12 ' HA ' ' A' ' 115' ' ' ARG . 26.2 mt -36.77 -56.98 0.82 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -45.39 -40.96 8.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.848 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 117' ' ' ARG . 8.3 tm-20 -55.66 -49.84 71.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.486 ' HB3' ' CZ ' ' A' ' 54' ' ' PHE . 69.5 mtt-85 -68.19 -37.18 80.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.942 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 22.5 mm100 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.863 0.363 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.441 ' CD2' ' HG2' ' A' ' 108' ' ' GLU . 6.6 tp -64.35 -35.46 80.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -63.88 -13.79 48.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 38.8 mt -91.19 -47.68 7.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.867 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 26.2 t90 -46.58 -48.42 19.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.899 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.409 ' O ' ' C ' ' A' ' 25' ' ' ASP . 85.4 t -62.09 -45.93 97.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.098 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 24' ' ' VAL . 42.3 t0 -37.0 -55.51 0.92 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -41.69 -53.31 3.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 49.2 mt . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 121.64 0.733 . . . . 0.0 111.15 179.91 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.804 0.335 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -76.97 -40.21 47.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.3 t -44.15 -30.02 0.71 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.828 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.483 ' OD1' HG23 ' A' ' 44' ' ' VAL . 45.4 t0 -90.56 136.9 32.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.836 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -80.28 44.11 2.81 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.464 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.483 HG23 ' OD1' ' A' ' 42' ' ' ASP . 91.2 t -115.21 -39.96 2.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.84 0.352 . . . . 0.0 111.096 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.2 tp -77.77 -43.87 29.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.932 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 97.1 t -40.97 -38.57 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.122 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.538 ' HA ' HD12 ' A' ' 50' ' ' ILE . . . -61.88 -43.38 98.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.08 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -51.87 -45.88 64.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 98.4 t -53.9 -30.87 19.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.121 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.538 HD12 ' HA ' ' A' ' 47' ' ' ALA . 38.1 mt -72.05 -40.98 67.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.102 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.4 tppt? -41.55 -50.69 4.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 45.3 t80 -46.67 -43.09 17.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.836 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.611 ' CD2' HD13 ' A' ' 118' ' ' LEU . 81.9 m-85 -85.24 -65.96 0.95 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.957 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -124.9 120.9 25.52 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.629 0.728 . . . . 0.0 110.869 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -50.7 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.693 2.262 . . . . 0.0 112.346 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.437 ' N ' ' HD3' ' A' ' 56' ' ' LYS . 0.1 OUTLIER -54.32 -59.17 5.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.407 ' C ' ' O ' ' A' ' 56' ' ' LYS . 15.0 mtp -35.88 -40.95 0.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.408 ' CG1' ' HG3' ' A' ' 60' ' ' MET . 40.1 t -53.98 -71.85 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.139 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 49.78 50.51 18.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.855 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.416 ' HE3' HG13 ' A' ' 44' ' ' VAL . 11.2 mtp -78.89 48.82 0.86 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 65.7 t60 -106.34 -0.73 24.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.841 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -117.49 -26.02 6.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 74.2 m-85 -81.66 157.72 24.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.62 HG13 ' HD2' ' A' ' 65' ' ' PRO . 84.2 t -155.34 137.6 10.01 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.624 0.726 . . . . 0.0 111.106 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.62 ' HD2' HG13 ' A' ' 64' ' ' VAL . 53.5 Cg_endo -69.8 96.09 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.693 2.262 . . . . 0.0 112.32 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -101.51 154.09 19.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.086 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 18.8 t30 -88.25 -34.26 17.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.877 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 20.7 m -63.37 -178.83 0.28 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.406 HD23 ' C ' ' A' ' 69' ' ' LEU . 9.6 tt -101.3 -44.8 5.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.917 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 9.7 mm-40 -43.46 -42.71 4.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -68.24 -43.82 77.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 58.6 mmtt -43.31 -64.07 0.71 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.445 HD21 ' HA ' ' A' ' 97' ' ' ARG . 29.0 mt -59.3 -45.76 90.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 47.9 t -41.95 -50.73 4.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.876 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.414 ' O ' ' N ' ' A' ' 78' ' ' HIS . 93.0 m-20 -63.4 -61.93 2.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.889 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.405 ' C ' ' O ' ' A' ' 75' ' ' ASN . 43.1 m95 -37.73 -54.26 1.22 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.875 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -49.6 -39.0 29.69 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.531 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.414 ' N ' ' O ' ' A' ' 75' ' ' ASN . 3.2 t-160 -73.79 -33.3 64.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.86 0.362 . . . . 0.0 110.849 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 8.2 tp -72.87 -12.39 60.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.936 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.424 ' HA ' HD12 ' A' ' 84' ' ' LEU . 64.1 t-20 -73.44 -37.74 65.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 27.2 mtt85 -103.39 3.94 35.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 6.8 mmtp -110.95 -22.82 11.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 54.8 t -127.16 -72.83 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.138 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.424 HD12 ' HA ' ' A' ' 80' ' ' ASN . 40.9 mt -41.11 -65.9 0.38 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.935 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 14.1 tmtt? -42.65 -52.26 4.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 21.7 mmt180 -58.38 -34.47 70.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.425 HD23 ' HD2' ' A' ' 121' ' ' ARG . 17.0 mt -92.31 27.1 2.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 50.64 27.58 3.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -106.4 167.8 9.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.856 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 68.2 p -155.16 148.47 24.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.84 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 10.4 t -143.98 131.78 10.77 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.6 0.714 . . . . 0.0 111.14 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.488 ' HG2' HG23 ' A' ' 95' ' ' VAL . 53.5 Cg_endo -69.78 158.75 55.86 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.72 2.28 . . . . 0.0 112.332 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -72.91 -12.93 61.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.864 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -82.71 -31.5 28.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.488 HG23 ' HG2' ' A' ' 92' ' ' PRO . 21.2 t -78.11 -25.09 14.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.1 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 9.0 mtt -75.87 -49.93 16.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.445 ' HA ' HD21 ' A' ' 73' ' ' LEU . 36.0 mtm180 -51.51 -28.28 13.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 33.0 mttp -78.71 -57.14 3.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.85 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.454 HG23 ' HB ' ' A' ' 107' ' ' VAL . 84.6 mt -45.76 -56.82 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.139 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -60.77 -17.74 50.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.095 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 19.3 mm-40 -99.05 36.2 1.75 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 22.2 m 40.6 45.04 1.91 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.87 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.91 152.64 96.23 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.601 0.715 . . . . 0.0 111.082 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.445 ' O ' ' C ' ' A' ' 105' ' ' GLY . 53.5 Cg_endo -69.84 118.25 5.57 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.696 2.264 . . . . 0.0 112.335 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 104' ' ' PRO . . . 34.38 81.46 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.463 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 24.6 t -129.81 -48.44 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.859 0.361 . . . . 0.0 111.114 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.454 ' HB ' HG23 ' A' ' 99' ' ' ILE . 14.1 p -72.61 -21.67 19.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.131 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.441 ' HG2' ' CD2' ' A' ' 20' ' ' LEU . 0.6 OUTLIER -63.64 -44.63 93.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 63.2 mt -57.19 -21.62 34.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 19.7 t -92.04 -20.72 6.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.093 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 89.0 mt -75.03 -46.82 32.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.528 ' N ' ' HD2' ' A' ' 113' ' ' PRO . 2.7 mt -44.61 -58.01 5.88 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.558 0.694 . . . . 0.0 111.129 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.528 ' HD2' ' N ' ' A' ' 112' ' ' ILE . 53.8 Cg_endo -69.76 -27.57 26.31 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.69 2.26 . . . . 0.0 112.388 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 6.8 tp -53.03 -48.43 67.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 21.6 ptt180 -66.58 -40.93 89.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.826 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 -51.77 -33.37 34.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.933 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 120' ' ' GLU . 23.6 mmm180 -82.91 -56.86 3.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.611 HD13 ' CD2' ' A' ' 53' ' ' TYR . 41.2 mt -41.77 -39.51 1.76 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.935 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -77.45 -32.7 54.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 117' ' ' ARG . 1.5 tp10 -62.92 -24.42 67.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.855 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.425 ' HD2' HD23 ' A' ' 87' ' ' LEU . 37.5 mtt-85 -103.5 -27.07 12.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.927 -179.913 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 40.9 mm-40 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.868 0.366 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.403 HD23 ' OE1' ' A' ' 108' ' ' GLU . 25.6 tp -67.49 -36.08 80.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.847 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -63.52 -56.51 15.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.935 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 49.0 mt -43.87 -54.52 5.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.935 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.538 ' CE2' ' HD2' ' A' ' 115' ' ' ARG . 6.2 t90 -39.98 -37.24 0.56 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.946 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 73.3 t -75.53 -42.71 42.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.424 ' OD1' ' C ' ' A' ' 25' ' ' ASP . 0.2 OUTLIER -52.58 -29.39 25.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.855 179.925 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -76.69 -46.23 26.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.431 HD11 ' NE1' ' A' ' 23' ' ' TRP . 93.1 mt . . . . . 0 C--N 1.329 -0.298 0 CA-C-O 121.59 0.71 . . . . 0.0 111.151 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.847 0.356 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.44 ' O ' ' C ' ' A' ' 41' ' ' SER . 3.8 m-85 -41.76 -43.37 2.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 40' ' ' PHE . 60.4 p -34.74 -41.96 0.14 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.857 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.445 ' O ' ' C ' ' A' ' 43' ' ' GLY . 30.1 t0 -75.71 108.41 8.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.858 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 42' ' ' ASP . . . -34.34 -49.65 0.67 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.451 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 92.5 t -43.02 -53.83 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.904 0.383 . . . . 0.0 111.141 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -48.41 -57.07 6.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.912 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 61.6 t -48.43 -45.88 14.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.097 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -53.73 -38.1 63.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.11 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -60.78 -40.45 92.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 71.3 t -54.97 -25.0 15.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.125 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.403 ' HB ' HG22 ' A' ' 58' ' ' VAL . 24.3 mt -81.42 -40.09 17.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.116 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 15.0 tptm -42.3 -52.3 4.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -44.15 -52.75 7.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.613 ' CD2' HD13 ' A' ' 118' ' ' LEU . 58.1 m-85 -73.27 -63.88 1.09 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 -179.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -126.91 122.8 23.43 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.686 0.755 . . . . 0.0 110.863 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -49.53 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.687 2.258 . . . . 0.0 112.351 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.485 ' O ' ' N ' ' A' ' 58' ' ' VAL . 25.1 mmmt -56.04 -54.68 41.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 58.9 mmm -38.37 -26.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.485 ' N ' ' O ' ' A' ' 56' ' ' LYS . 59.6 t -92.25 136.84 23.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.141 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 17.4 mp0 -132.96 94.11 3.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 2.9 mmt -89.93 31.31 0.98 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -104.27 -42.73 5.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.588 ' OD1' ' CD1' ' A' ' 63' ' ' TYR . 11.2 p30 -89.71 -39.33 13.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.588 ' CD1' ' OD1' ' A' ' 62' ' ' ASN . 20.8 m-85 -67.43 148.77 51.13 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 10.9 t -147.2 131.94 8.84 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.628 0.727 . . . . 0.0 111.117 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 126.78 13.68 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.689 2.26 . . . . 0.0 112.351 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.435 ' CB ' ' HG2' ' A' ' 71' ' ' GLN . . . -143.42 174.8 10.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.061 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 46.1 p30 -126.61 20.14 7.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 11.8 m -118.05 139.54 51.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.814 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.433 ' O ' ' C ' ' A' ' 70' ' ' GLN . 4.0 mm? -48.09 -72.9 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.921 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' A' ' 69' ' ' LEU . 5.1 pt20 -34.45 -49.16 0.38 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.917 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.435 ' HG2' ' CB ' ' A' ' 66' ' ' ALA . 11.2 tp60 -59.06 -48.9 79.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 69' ' ' LEU . 17.6 mmtp -56.74 -58.56 7.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.625 HD21 ' HA ' ' A' ' 97' ' ' ARG . 43.4 mt -52.74 -42.13 64.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.89 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 6.4 t -53.36 -49.08 67.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -64.79 -58.23 6.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.94 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.429 ' CZ2' HG21 ' A' ' 99' ' ' ILE . 45.1 m95 -42.93 -51.72 5.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.948 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -44.17 -43.73 7.35 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.469 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 48.6 m170 -66.78 -45.8 77.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.835 0.35 . . . . 0.0 110.884 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.588 HD12 ' OH ' ' A' ' 63' ' ' TYR . 4.4 tp -58.77 -21.68 56.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.916 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.606 ' HA ' HD12 ' A' ' 84' ' ' LEU . 19.0 t-20 -75.0 -29.07 60.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 35.4 mtm180 -110.02 3.94 20.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.847 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 9.7 mmtp -115.05 -36.11 4.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.416 ' O ' ' C ' ' A' ' 84' ' ' LEU . 55.6 t -108.26 -74.38 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.148 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.606 HD12 ' HA ' ' A' ' 80' ' ' ASN . 61.9 mt -36.84 -58.23 0.77 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.927 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 84' ' ' LEU . 33.2 tptt -36.55 -56.38 0.81 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.812 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 15.4 mmp_? -58.7 -35.66 72.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.488 ' N ' ' O ' ' A' ' 84' ' ' LEU . 22.8 mt -86.71 27.84 0.94 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 38.88 34.75 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -107.4 167.73 9.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 44.0 p -156.18 141.32 17.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 13.1 t -142.4 131.54 12.0 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.647 0.737 . . . . 0.0 111.11 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.691 ' HG2' HG23 ' A' ' 95' ' ' VAL . 53.8 Cg_endo -69.79 159.91 51.66 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.684 2.256 . . . . 0.0 112.369 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -63.3 -36.36 83.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.863 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 -55.67 -57.18 13.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.691 HG23 ' HG2' ' A' ' 92' ' ' PRO . 71.9 t -57.03 -41.56 77.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.114 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.793 ' HA ' HD12 ' A' ' 99' ' ' ILE . 7.5 mtm -55.92 -47.38 77.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.625 ' HA ' HD21 ' A' ' 73' ' ' LEU . 13.1 mmt85 -47.26 -57.83 4.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 25.8 mttm -53.38 -46.55 69.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.917 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.793 HD12 ' HA ' ' A' ' 96' ' ' MET . 72.9 mt -49.77 -55.95 4.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.137 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -59.84 -19.16 49.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.063 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -90.61 26.93 1.86 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.959 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 19.7 p 39.01 49.16 1.55 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -85.5 125.09 70.5 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.599 0.714 . . . . 0.0 111.101 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 135.8 31.47 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.66 2.24 . . . . 0.0 112.39 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 86.96 -29.39 5.09 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.477 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 97.9 t -69.14 -74.27 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.876 0.37 . . . . 0.0 111.154 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 5.4 p -47.9 -23.92 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.096 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.704 ' HA ' HD12 ' A' ' 111' ' ' LEU . 30.2 mt-10 -66.06 -40.59 91.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.866 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 21.0 mt -56.02 -20.41 16.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.1 t -97.37 -28.07 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.153 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.704 HD12 ' HA ' ' A' ' 108' ' ' GLU . 23.9 mt -70.8 -49.76 43.01 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.531 HG22 ' N ' ' A' ' 113' ' ' PRO . 2.7 mt -44.86 -58.68 5.09 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.638 0.732 . . . . 0.0 111.124 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.531 ' N ' HG22 ' A' ' 112' ' ' ILE . 53.7 Cg_endo -69.74 -50.43 0.47 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.696 2.264 . . . . 0.0 112.327 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 8.0 tt -47.09 -51.48 17.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.885 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.538 ' HD2' ' CE2' ' A' ' 23' ' ' TRP . 35.5 ttp180 -59.4 -47.27 86.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -47.2 -33.44 5.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.466 ' HB3' HD22 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -74.79 -51.26 14.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.847 -179.879 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.613 HD13 ' CD2' ' A' ' 53' ' ' TYR . 59.3 mt -40.38 -47.34 2.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.932 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -60.8 -40.06 91.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 117' ' ' ARG . 20.7 tt0 -61.03 -44.32 97.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 7.5 mtt-85 -71.02 -37.2 72.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.941 -179.966 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.677 ' HA ' HD12 ' A' ' 22' ' ' LEU . 48.3 mm-40 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.837 0.351 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.9 tp -68.5 -38.22 80.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -61.43 -30.92 70.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.905 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.677 HD12 ' HA ' ' A' ' 19' ' ' GLN . 14.4 mt -68.41 -55.92 10.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.946 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.492 ' CZ2' ' CG1' ' A' ' 49' ' ' VAL . 5.1 t90 -41.15 -53.88 3.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.605 ' HA ' HD12 ' A' ' 27' ' ' ILE . 75.4 t -67.52 -55.41 17.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.144 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -38.72 -39.9 0.55 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -64.04 -44.67 91.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.605 HD12 ' HA ' ' A' ' 24' ' ' VAL . 25.3 mt . . . . . 0 C--N 1.329 -0.306 0 CA-C-O 121.61 0.719 . . . . 0.0 111.16 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.494 ' N ' ' OD1' ' A' ' 39' ' ' ASP . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.808 0.337 . . . . 0.0 110.853 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.438 ' O ' ' C ' ' A' ' 41' ' ' SER . 14.7 m-85 -37.6 -43.55 0.62 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 40' ' ' PHE . 60.0 p -35.54 -52.8 0.67 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.872 -179.802 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -72.35 125.59 27.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.911 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 44' ' ' VAL . . . -59.67 -44.67 96.69 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.508 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.418 ' C ' ' O ' ' A' ' 43' ' ' GLY . 78.9 t -35.79 -46.25 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.825 0.345 . . . . 0.0 111.1 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.479 HD22 ' HB3' ' A' ' 39' ' ' ASP . 59.5 tp -64.92 -50.19 67.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 96.2 t -47.27 -51.19 6.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.161 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.702 ' HA ' HD12 ' A' ' 50' ' ' ILE . . . -45.72 -48.79 15.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.095 179.823 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -46.0 -40.74 10.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.525 HG13 HD13 ' A' ' 27' ' ' ILE . 72.4 t -58.83 -36.76 62.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.152 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.702 HD12 ' HA ' ' A' ' 47' ' ' ALA . 9.8 mt -73.87 -39.26 51.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.151 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.599 ' HB3' ' HZ2' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -40.14 -54.34 2.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.853 179.859 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.424 ' HA ' ' HZ3' ' A' ' 51' ' ' LYS . 62.3 t80 -43.11 -37.86 2.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.924 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 55.5 m-85 -86.85 -39.77 15.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.911 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.438 ' HA ' ' HD2' ' A' ' 55' ' ' PRO . 62.8 m-85 -144.75 104.97 4.55 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.62 0.724 . . . . 0.0 110.875 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.438 ' HD2' ' HA ' ' A' ' 54' ' ' PHE . 53.6 Cg_endo -69.79 -29.43 23.72 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.663 2.242 . . . . 0.0 112.355 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.2 mtpp -71.35 -52.69 17.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.899 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 49.7 mmm -41.43 -52.18 3.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 39.1 t -68.43 129.22 32.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.182 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -132.19 86.03 2.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.484 ' O ' ' N ' ' A' ' 62' ' ' ASN . 9.7 mmt -65.51 -39.43 91.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.401 ' C ' ' O ' ' A' ' 60' ' ' MET . 41.8 m80 -38.02 -27.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.484 ' N ' ' O ' ' A' ' 60' ' ' MET . 26.3 m-80 -103.5 -64.4 1.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -50.73 141.93 12.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.919 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 16.9 t -143.95 133.01 11.35 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.636 0.732 . . . . 0.0 111.114 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 122.88 9.55 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.705 2.27 . . . . 0.0 112.322 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -113.49 171.78 7.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.111 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -123.59 14.35 9.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.95 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 69' ' ' LEU . 52.3 m -122.87 115.98 22.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.827 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.605 HD22 HE21 ' A' ' 101' ' ' GLN . 38.8 tp -35.89 -59.7 0.57 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.931 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.47 ' HG3' ' N ' ' A' ' 71' ' ' GLN . 5.8 pt20 -41.04 -52.38 3.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.47 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 41.1 tp60 -60.37 -52.72 64.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 10.7 mmmm -42.9 -65.17 0.51 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.764 HD21 ' HA ' ' A' ' 97' ' ' ARG . 18.3 mt -43.73 -44.23 6.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.945 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.8 t -51.21 -56.39 13.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -54.15 -56.67 15.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.888 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.435 ' CZ2' HG21 ' A' ' 99' ' ' ILE . 32.6 m95 -42.87 -42.06 3.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -51.79 -41.94 52.02 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.462 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -68.92 -54.08 17.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.79 0.329 . . . . 0.0 110.847 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 5.7 tp -53.39 -18.09 2.36 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.597 ' HA ' HD12 ' A' ' 84' ' ' LEU . 31.9 t-20 -76.2 -43.66 41.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 70.6 mtp180 -93.67 2.67 56.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 16.3 mmtt -111.33 -30.37 7.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 77.6 t -117.92 -74.4 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.123 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.597 HD12 ' HA ' ' A' ' 80' ' ' ASN . 38.9 mt -38.64 -52.94 1.65 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.1 mtpm? -56.37 -44.2 79.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 26.7 mmt85 -65.34 -20.49 66.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 12.9 mt -105.68 27.54 8.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 47.48 35.48 4.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -114.64 148.35 38.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 90.0 p -136.47 141.05 43.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 10.5 t -138.43 131.81 16.38 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.634 0.73 . . . . 0.0 111.106 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.645 ' HG2' HG23 ' A' ' 95' ' ' VAL . 53.6 Cg_endo -69.79 152.88 69.28 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.641 2.228 . . . . 0.0 112.354 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -64.11 -23.81 67.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.853 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -68.55 -34.43 75.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.645 HG23 ' HG2' ' A' ' 92' ' ' PRO . 39.6 t -75.67 -41.95 41.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.101 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.689 ' HA ' HD12 ' A' ' 99' ' ' ILE . 8.3 mtm -57.39 -44.38 84.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.764 ' HA ' HD21 ' A' ' 73' ' ' LEU . 32.1 mtm180 -53.92 -46.96 71.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.901 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.728 ' HB2' HG11 ' A' ' 106' ' ' VAL . 32.8 mttm -58.83 -46.73 87.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.689 HD12 ' HA ' ' A' ' 96' ' ' MET . 43.9 mt -53.25 -60.22 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.163 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -56.35 -19.24 13.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.059 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.605 HE21 HD22 ' A' ' 69' ' ' LEU . 30.8 mm-40 -90.25 21.8 3.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.91 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 13.3 p 42.98 41.96 2.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -91.34 114.31 61.28 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.553 0.692 . . . . 0.0 111.129 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 138.02 36.93 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.64 2.227 . . . . 0.0 112.324 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 97.95 -2.59 60.05 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.474 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.728 HG11 ' HB2' ' A' ' 98' ' ' LYS . 21.1 t -106.33 -66.08 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.896 0.379 . . . . 0.0 111.163 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.413 HG13 ' N ' ' A' ' 108' ' ' GLU . 7.1 p -49.52 -41.02 15.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.098 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.48 ' HA ' HD12 ' A' ' 111' ' ' LEU . 15.5 mp0 -52.64 -49.74 64.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 34.1 mt -47.74 -20.82 0.31 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.941 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 2.5 t -98.6 -28.59 3.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.126 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.48 HD12 ' HA ' ' A' ' 108' ' ' GLU . 50.8 mt -72.17 -38.47 69.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.527 ' N ' ' HD2' ' A' ' 113' ' ' PRO . 3.5 mt -51.91 -57.93 13.06 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.61 0.719 . . . . 0.0 111.154 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 112' ' ' ILE . 53.5 Cg_endo -69.79 -50.17 0.49 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.656 2.238 . . . . 0.0 112.391 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 113' ' ' PRO . 6.7 tp -37.29 -61.75 0.56 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.471 ' CZ ' ' HB2' ' A' ' 23' ' ' TRP . 33.6 ttt180 -53.68 -47.81 70.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 -52.8 -43.92 66.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.906 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 29.8 mmm180 -67.3 -52.67 37.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.565 HD21 HG23 ' A' ' 50' ' ' ILE . 21.7 mt -41.01 -54.2 2.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.949 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -42.04 -61.84 1.06 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.871 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -45.91 -37.01 5.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 8.0 mmt180 -77.61 -32.6 53.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.888 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 51.1 tp60 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.883 -179.92 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 81.2 mm-40 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.85 0.357 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.425 HD21 ' HG3' ' A' ' 108' ' ' GLU . 6.9 tp -63.6 -41.14 98.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.935 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -61.55 -52.79 62.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.926 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 15.8 mt -56.5 -44.58 80.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.966 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 11.7 t90 -46.24 -35.96 5.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 59.1 t -66.53 -55.85 16.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.148 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -49.85 -43.31 48.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.847 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -43.21 -36.74 1.85 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.859 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.467 HD13 HG13 ' A' ' 49' ' ' VAL . 8.5 mt . . . . . 0 C--N 1.328 -0.337 0 CA-C-O 121.662 0.744 . . . . 0.0 111.087 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.853 0.359 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.562 ' HA ' HD23 ' A' ' 45' ' ' LEU . 7.4 m-85 -60.31 -38.62 84.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.844 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 40' ' ' PHE . 7.1 t -34.4 -37.7 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.887 -179.783 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.413 ' N ' ' O ' ' A' ' 40' ' ' PHE . 0.9 OUTLIER -84.62 97.86 9.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.855 179.941 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 44' ' ' VAL . . . -38.87 -42.89 1.61 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.499 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.69 HG13 ' CE ' ' A' ' 60' ' ' MET . 54.0 t -35.87 -40.54 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.804 0.335 . . . . 0.0 111.111 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.562 HD23 ' HA ' ' A' ' 40' ' ' PHE . 19.2 tp -73.31 -53.62 10.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 88.8 t -39.36 -43.97 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.167 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.468 ' HA ' HD12 ' A' ' 50' ' ' ILE . . . -58.12 -43.29 87.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.106 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -54.36 -50.92 66.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.907 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.467 HG13 HD13 ' A' ' 27' ' ' ILE . 97.4 t -46.87 -47.19 8.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.139 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.468 HD12 ' HA ' ' A' ' 47' ' ' ALA . 59.4 mt -52.02 -41.31 31.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.142 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.455 ' HA ' ' CG2' ' A' ' 58' ' ' VAL . 0.9 OUTLIER -38.73 -58.08 1.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.926 179.845 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.419 ' C ' ' O ' ' A' ' 51' ' ' LYS . 21.8 t80 -36.02 -54.57 0.77 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.527 ' CD2' ' HB3' ' A' ' 118' ' ' LEU . 51.9 m-85 -74.68 -59.1 2.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.927 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -135.16 116.84 12.33 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.64 0.733 . . . . 0.0 110.889 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -39.45 6.38 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.657 2.238 . . . . 0.0 112.331 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.9 ptpp? -63.3 -51.43 66.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.912 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.421 ' O ' ' C ' ' A' ' 58' ' ' VAL . 53.5 mmm -49.87 -43.68 49.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.541 HG12 ' H ' ' A' ' 60' ' ' MET . 55.1 t -34.59 -71.91 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.108 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 45.83 49.63 11.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.69 ' CE ' HG13 ' A' ' 44' ' ' VAL . 2.0 ppp? -83.52 -32.04 26.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.861 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.423 ' C ' ' O ' ' A' ' 60' ' ' MET . 13.8 t-80 -35.82 -60.25 0.54 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.859 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -39.82 -53.56 2.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -57.77 167.27 1.17 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.935 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.437 HG13 ' HD2' ' A' ' 65' ' ' PRO . 93.2 t -142.39 132.91 12.6 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.668 0.746 . . . . 0.0 111.112 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.437 ' HD2' HG13 ' A' ' 64' ' ' VAL . 53.5 Cg_endo -69.74 119.87 6.75 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.661 2.241 . . . . 0.0 112.317 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.435 ' CB ' ' HG3' ' A' ' 71' ' ' GLN . . . -124.77 169.95 11.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.118 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -121.55 28.83 7.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.3 m -125.49 154.15 42.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.837 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 13.9 tp -63.92 -64.45 0.89 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.905 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.464 ' HG3' ' N ' ' A' ' 71' ' ' GLN . 29.2 pt20 -38.25 -48.55 1.3 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.464 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 17.4 mm100 -51.5 -60.61 2.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.411 ' HE2' ' CG ' ' A' ' 42' ' ' ASP . 24.9 mmtp -38.3 -65.87 0.31 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 13.4 mt -45.97 -46.86 16.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.953 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.6 t -49.83 -48.3 50.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 22.0 m-20 -68.39 -59.05 3.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.9 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 41.9 m95 -44.25 -46.41 9.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -54.09 -50.01 57.05 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.53 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 49.2 m-70 -61.14 -46.82 88.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.849 0.357 . . . . 0.0 110.884 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.6 tp -57.43 -23.87 52.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.551 ' CG ' HD12 ' A' ' 84' ' ' LEU . 36.8 t-20 -72.54 -28.15 62.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.846 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 32.1 mmt180 -108.55 1.93 21.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 18.7 mttp -113.99 -35.04 5.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.41 ' O ' ' C ' ' A' ' 84' ' ' LEU . 72.2 t -109.42 -72.27 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.107 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.551 HD12 ' CG ' ' A' ' 80' ' ' ASN . 73.2 mt -37.29 -55.61 1.01 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.937 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 22.9 tttm -44.37 -49.76 9.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.938 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 31.2 mmt180 -60.63 -30.25 69.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 13.1 mt -97.08 28.36 3.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 44.57 28.4 0.32 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -104.62 142.86 33.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 6.3 m -139.24 141.25 37.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.851 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.436 HG13 ' HD2' ' A' ' 92' ' ' PRO . 93.7 t -140.69 133.09 14.35 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.683 0.754 . . . . 0.0 111.104 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.729 ' HG2' HG23 ' A' ' 95' ' ' VAL . 53.7 Cg_endo -69.72 146.46 60.49 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 122.69 2.26 . . . . 0.0 112.39 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -50.93 -39.5 54.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.837 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 52.1 m-20 -50.34 -55.05 17.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.855 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.729 HG23 ' HG2' ' A' ' 92' ' ' PRO . 85.6 t -58.4 -39.23 73.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.15 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 15.0 mtm -63.41 -46.54 85.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 48.1 mtp180 -50.07 -36.51 29.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.63 ' HZ2' HG21 ' A' ' 106' ' ' VAL . 3.5 mtpm? -74.48 -46.36 40.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.918 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 72.9 mt -47.7 -55.33 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.116 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.72 -29.72 64.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.104 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -77.99 9.12 3.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 11.1 m 62.29 45.57 6.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -73.52 121.15 84.43 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.625 0.726 . . . . 0.0 111.094 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 104.62 1.34 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.658 2.239 . . . . 0.0 112.357 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 118.38 -57.55 0.54 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.498 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.63 HG21 ' HZ2' ' A' ' 98' ' ' LYS . 47.0 t -41.9 -53.71 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.839 0.352 . . . . 0.0 111.08 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.507 HG13 ' N ' ' A' ' 108' ' ' GLU . 14.8 p -59.46 -45.59 93.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.11 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.507 ' N ' HG13 ' A' ' 107' ' ' VAL . 7.5 mp0 -55.85 -48.23 75.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.816 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 56.7 mt -50.59 -18.52 0.7 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 24.9 t -100.33 -27.79 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 81.5 mt -73.69 -35.19 65.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.944 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.525 ' N ' ' HD2' ' A' ' 113' ' ' PRO . 3.7 mt -55.11 -57.86 17.75 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.62 0.724 . . . . 0.0 111.136 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.525 ' HD2' ' N ' ' A' ' 112' ' ' ILE . 54.1 Cg_endo -69.76 -37.34 9.31 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.715 2.277 . . . . 0.0 112.354 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 67.4 tp -44.0 -56.53 3.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.938 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.649 ' HA ' HD12 ' A' ' 118' ' ' LEU . 31.7 ttt180 -60.62 -49.05 79.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -46.97 -44.65 20.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 25.8 mmm180 -64.58 -54.97 23.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.851 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.649 HD12 ' HA ' ' A' ' 115' ' ' ARG . 27.8 mt -40.27 -41.86 1.41 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -68.24 -44.25 76.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -45.09 -43.02 9.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.407 ' O ' ' C ' ' A' ' 122' ' ' GLN . 30.3 mtp180 -68.06 -42.46 80.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.809 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 121' ' ' ARG . 29.2 tt0 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.89 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 87.6 mm-40 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.81 0.338 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.429 ' CD2' ' HG3' ' A' ' 108' ' ' GLU . 3.6 tp -60.08 -42.52 94.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -57.15 -53.04 62.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.913 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 64.0 mt -53.43 -54.83 31.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.941 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.516 ' CH2' ' HB3' ' A' ' 115' ' ' ARG . 5.5 t90 -39.94 -38.11 0.66 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.438 ' O ' ' C ' ' A' ' 25' ' ' ASP . 84.5 t -58.06 -57.7 9.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.121 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 24' ' ' VAL . 15.5 t0 -34.44 -52.49 0.49 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.852 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -43.46 -56.45 3.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 96.6 mt . . . . . 0 C--N 1.328 -0.339 0 CA-C-O 121.632 0.73 . . . . 0.0 111.135 179.887 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.851 0.358 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.438 ' O ' ' C ' ' A' ' 41' ' ' SER . 11.4 m-85 -79.26 -48.3 14.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.846 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 40' ' ' PHE . 47.8 p -34.3 -38.69 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.901 -179.816 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -78.44 124.62 28.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.835 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -60.41 -37.87 93.86 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.453 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.536 HG13 ' CE ' ' A' ' 60' ' ' MET . 54.8 t -40.43 -44.23 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.901 0.381 . . . . 0.0 111.146 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 30.6 tp -67.76 -49.39 62.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.407 HG21 ' CH2' ' A' ' 76' ' ' TRP . 81.1 t -48.3 -33.8 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.124 179.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.501 ' HB1' HG13 ' A' ' 58' ' ' VAL . . . -61.92 -50.12 73.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.122 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -48.62 -47.99 39.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.853 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 86.1 t -48.27 -43.05 11.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.119 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.408 ' O ' ' C ' ' A' ' 51' ' ' LYS . 49.6 mt -63.79 -39.74 86.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.131 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.667 ' HD2' HG21 ' A' ' 58' ' ' VAL . 24.1 tptt -36.19 -58.29 0.68 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.911 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.417 ' C ' ' CD1' ' A' ' 52' ' ' PHE . 9.5 t80 -39.36 -46.1 1.56 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.516 ' CG ' ' HB3' ' A' ' 118' ' ' LEU . 90.1 m-85 -86.06 -65.65 0.99 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.92 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.403 ' HA ' ' HD2' ' A' ' 55' ' ' PRO . 57.6 m-85 -124.08 105.39 31.77 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.681 0.753 . . . . 0.0 110.869 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 54' ' ' PHE . 53.5 Cg_endo -69.76 -44.37 2.12 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.661 2.241 . . . . 0.0 112.303 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.401 ' HG3' ' N ' ' A' ' 57' ' ' MET . 10.1 ptpp? -56.89 -45.02 82.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.845 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.422 ' O ' ' C ' ' A' ' 58' ' ' VAL . 39.4 mmm -56.64 -43.37 80.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.9 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.667 HG21 ' HD2' ' A' ' 51' ' ' LYS . 80.9 t -36.05 -62.41 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.114 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 55.89 45.25 24.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.935 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.536 ' CE ' HG13 ' A' ' 44' ' ' VAL . 0.0 OUTLIER -63.17 -50.41 70.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -44.18 -33.36 1.51 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -67.67 -54.15 21.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.918 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.504 ' CZ ' HD12 ' A' ' 79' ' ' LEU . 62.5 m-85 -75.74 165.72 24.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 73.7 t -146.75 130.18 8.22 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.658 0.742 . . . . 0.0 111.083 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 150.84 68.84 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.691 2.26 . . . . 0.0 112.346 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.419 ' HB2' ' HG2' ' A' ' 71' ' ' GLN . . . -149.93 177.64 9.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.062 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -96.91 -47.94 5.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.4 t -67.92 160.44 28.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.444 ' O ' ' C ' ' A' ' 70' ' ' GLN . 27.0 mt -75.92 -44.72 38.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.899 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.444 ' C ' ' O ' ' A' ' 69' ' ' LEU . 82.4 mt-30 -34.76 -49.91 0.44 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.419 ' HG2' ' HB2' ' A' ' 66' ' ' ALA . 47.0 tp60 -65.47 -55.85 15.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 7.6 mmpt? -38.14 -59.62 0.84 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.904 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.458 ' HG ' ' CB ' ' A' ' 100' ' ' ALA . 17.1 mt -55.51 -49.51 72.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.914 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 32.4 t -44.5 -51.75 8.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.878 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -61.89 -53.13 60.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.407 ' CH2' HG21 ' A' ' 46' ' ' VAL . 38.8 m95 -47.6 -50.47 24.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.903 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -49.81 -53.28 22.52 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.48 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.498 ' O ' ' CG ' ' A' ' 82' ' ' LYS . 19.6 m-70 -58.1 -32.3 67.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.802 0.334 . . . . 0.0 110.824 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.504 HD12 ' CZ ' ' A' ' 63' ' ' TYR . 2.2 tp -67.33 -23.77 65.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.946 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.498 ' CG ' HD12 ' A' ' 84' ' ' LEU . 36.0 t-20 -72.77 -29.47 63.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 57.0 mtp180 -109.85 2.58 19.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.835 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.498 ' CG ' ' O ' ' A' ' 78' ' ' HIS . 5.2 mmpt? -114.01 -28.71 7.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.907 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.444 ' O ' ' C ' ' A' ' 84' ' ' LEU . 60.7 t -123.0 -70.01 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.106 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.498 HD12 ' CG ' ' A' ' 80' ' ' ASN . 45.5 mt -34.56 -61.67 0.38 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.954 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 56.9 tttt -41.22 -55.41 2.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.94 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 16.9 mmt180 -48.83 -35.02 13.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 10.3 mt -98.2 31.31 2.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 7.1 m120 40.15 36.65 0.33 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.879 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -105.49 139.19 40.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 17.1 m -130.3 139.23 50.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.841 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 93.5 t -143.52 128.08 9.55 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.626 0.727 . . . . 0.0 111.124 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.819 ' HG2' HG23 ' A' ' 95' ' ' VAL . 53.0 Cg_endo -69.81 139.72 40.73 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.726 2.284 . . . . 0.0 112.308 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -42.22 -41.49 2.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -48.0 -54.01 14.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.882 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.819 HG23 ' HG2' ' A' ' 92' ' ' PRO . 91.3 t -56.21 -43.54 76.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.168 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.426 ' HA ' HD12 ' A' ' 99' ' ' ILE . 5.8 mtt -58.08 -46.0 86.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 44.6 mtm180 -48.1 -46.81 34.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.836 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.61 ' HB2' HG11 ' A' ' 106' ' ' VAL . 47.4 mttm -61.2 -57.7 11.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.872 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.426 HD12 ' HA ' ' A' ' 96' ' ' MET . 72.3 mt -41.14 -57.34 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.119 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.458 ' CB ' ' HG ' ' A' ' 73' ' ' LEU . . . -55.08 -28.01 49.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.084 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 98' ' ' LYS . 5.2 mm-40 -85.65 32.41 0.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . 0.435 ' C ' ' O ' ' A' ' 101' ' ' GLN . 29.3 p 35.35 50.26 0.53 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -89.73 119.9 69.47 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.551 0.691 . . . . 0.0 111.087 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 139.36 39.99 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.723 2.282 . . . . 0.0 112.337 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 88.3 -32.98 4.21 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.444 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.61 HG11 ' HB2' ' A' ' 98' ' ' LYS . 57.8 t -63.06 -64.3 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.849 0.357 . . . . 0.0 111.182 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 9.6 p -56.8 -32.21 37.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.096 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.429 ' HG3' ' CD2' ' A' ' 20' ' ' LEU . 8.4 mp0 -56.82 -46.37 81.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 16.7 mt -49.81 -29.12 7.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.953 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 90.3 t -94.87 -24.6 4.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.139 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 67.7 mt -69.61 -41.17 76.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.535 ' N ' ' HD2' ' A' ' 113' ' ' PRO . 4.3 mt -52.61 -57.6 15.13 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.64 0.733 . . . . 0.0 111.132 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.535 ' HD2' ' N ' ' A' ' 112' ' ' ILE . 53.9 Cg_endo -69.8 -24.47 29.48 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.678 2.252 . . . . 0.0 112.362 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 14.1 tp -55.01 -70.76 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.677 ' HA ' HD12 ' A' ' 118' ' ' LEU . 12.0 ptt85 -46.4 -48.55 18.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 36.3 mm-40 -44.07 -53.08 6.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.907 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -63.87 -44.96 91.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.677 HD12 ' HA ' ' A' ' 115' ' ' ARG . 79.5 mt -49.33 -55.33 13.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -68.3 -40.99 81.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -47.3 -49.65 23.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 41.7 mtp85 -70.66 -46.23 63.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.842 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.951 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 61.2 mm-40 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.815 0.34 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.526 HD12 ' HE3' ' A' ' 23' ' ' TRP . 4.2 tp -64.89 -52.58 55.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.926 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -44.52 -39.44 4.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.948 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 33.6 mt -63.69 -50.55 68.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.907 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.526 ' HE3' HD12 ' A' ' 20' ' ' LEU . 17.0 t90 -55.49 -62.04 1.94 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.958 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 91.8 t -44.0 -48.27 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.15 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -45.87 -51.69 12.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.845 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -48.36 -54.11 15.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 86.6 mt . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 121.603 0.716 . . . . 0.0 111.148 179.881 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.831 ' OD1' HD22 ' A' ' 45' ' ' LEU . 13.0 t0 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.837 0.351 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.449 ' O ' ' C ' ' A' ' 41' ' ' SER . 12.0 m-85 -60.23 -44.91 94.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.449 ' C ' ' O ' ' A' ' 40' ' ' PHE . 11.8 t -34.41 -39.49 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.445 ' O ' ' C ' ' A' ' 43' ' ' GLY . 7.8 m-20 -79.36 88.47 4.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.845 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 42' ' ' ASP . . . -34.18 -43.72 0.35 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.515 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.406 ' C ' ' O ' ' A' ' 43' ' ' GLY . 86.2 t -36.83 -48.23 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.82 0.343 . . . . 0.0 111.076 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.831 HD22 ' OD1' ' A' ' 39' ' ' ASP . 7.0 tp -67.76 -47.95 67.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.901 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 87.3 t -39.83 -54.49 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.129 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.413 ' HB3' ' SD ' ' A' ' 60' ' ' MET . . . -40.67 -45.93 2.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.127 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -50.58 -47.93 57.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.852 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 84.3 t -46.22 -55.48 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.145 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.462 ' CD1' HG11 ' A' ' 83' ' ' VAL . 42.4 mt -47.84 -43.71 10.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.152 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.461 ' N ' HG21 ' A' ' 58' ' ' VAL . 0.1 OUTLIER -36.73 -59.91 0.65 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 179.851 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.402 ' C ' ' O ' ' A' ' 51' ' ' LYS . 24.7 t80 -36.94 -41.97 0.37 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.847 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -82.93 -59.2 2.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.933 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.428 ' CZ ' ' HB3' ' A' ' 121' ' ' ARG . 47.0 m-85 -131.09 114.59 16.29 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.634 0.73 . . . . 0.0 110.91 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -50.6 0.46 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.696 2.264 . . . . 0.0 112.357 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 57' ' ' MET . 51.4 mttp -54.65 -61.72 2.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.422 ' C ' ' O ' ' A' ' 56' ' ' LYS . 39.3 mmm -36.09 -44.34 0.38 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.926 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.461 HG21 ' N ' ' A' ' 51' ' ' LYS . 91.5 t -72.58 102.26 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.116 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -104.27 55.96 0.72 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.413 ' HG2' ' CG1' ' A' ' 58' ' ' VAL . 79.1 mmm -57.62 -174.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 12.9 t-80 71.78 25.01 3.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.874 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.401 ' OD1' ' C ' ' A' ' 62' ' ' ASN . 0.9 OUTLIER -133.1 -38.17 0.97 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 -179.924 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.442 ' OH ' ' N ' ' A' ' 79' ' ' LEU . 14.2 m-85 -69.4 173.63 5.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 71.7 t -137.57 127.12 15.23 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.63 0.729 . . . . 0.0 111.147 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 155.89 64.93 Favored 'Trans proline' 0 N--CA 1.465 -0.159 0 C-N-CA 122.749 2.299 . . . . 0.0 112.362 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -165.49 179.61 6.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.1 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -129.2 -40.44 1.47 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 34.0 m -53.23 177.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.847 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.766 HD11 ' HG2' ' A' ' 101' ' ' GLN . 17.3 tp -89.08 -58.07 2.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.921 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -40.31 -46.24 2.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.419 ' O ' ' C ' ' A' ' 72' ' ' LYS . 34.9 tp60 -62.55 -59.48 4.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -36.07 -67.66 0.16 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.77 HD21 ' HA ' ' A' ' 97' ' ' ARG . 14.4 mt -41.61 -42.35 2.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.902 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.4 t -53.19 -50.85 63.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.84 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -60.96 -58.94 6.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.499 ' CZ2' HG21 ' A' ' 99' ' ' ILE . 33.3 m95 -48.81 -52.42 24.14 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -47.73 -46.95 24.74 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.455 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 29.5 m170 -65.83 -56.17 13.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.82 0.343 . . . . 0.0 110.85 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.442 ' N ' ' OH ' ' A' ' 63' ' ' TYR . 2.1 tp -52.08 -17.19 0.96 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.92 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.581 ' HA ' HD12 ' A' ' 84' ' ' LEU . 29.7 t30 -74.19 -41.2 61.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 27.4 mtm180 -106.21 -3.87 20.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 18.9 mmmt -99.34 -37.79 9.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.462 HG11 ' CD1' ' A' ' 50' ' ' ILE . 64.0 t -113.07 -75.19 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.136 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.581 HD12 ' HA ' ' A' ' 80' ' ' ASN . 83.1 mt -37.02 -48.26 0.77 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.948 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 84' ' ' LEU . 0.2 OUTLIER -37.03 -50.93 0.92 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.926 179.814 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 13.4 mmt180 -59.32 -37.96 79.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.489 ' N ' ' O ' ' A' ' 84' ' ' LEU . 20.4 mt -84.32 30.14 0.55 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.914 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 8.9 m120 37.03 38.64 0.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -114.8 124.83 52.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 46.3 m -120.38 141.67 49.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.844 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 95.1 t -136.57 128.48 17.08 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.647 0.737 . . . . 0.0 111.14 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 143.44 50.88 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.7 2.266 . . . . 0.0 112.378 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -43.62 -33.83 1.29 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.91 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -53.06 -60.64 3.03 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.817 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 76.1 t -61.03 -39.89 83.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.169 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 10.2 mtm -57.69 -47.83 81.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.87 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.77 ' HA ' HD21 ' A' ' 73' ' ' LEU . 83.6 mtt180 -49.57 -61.16 2.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' A' ' 101' ' ' GLN . 30.9 mttm -48.39 -57.24 6.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.499 HG21 ' CZ2' ' A' ' 76' ' ' TRP . 94.6 mt -41.43 -58.74 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.4 -26.17 60.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.123 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.766 ' HG2' HD11 ' A' ' 69' ' ' LEU . 26.8 mt-30 -87.28 31.37 0.73 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . 0.446 ' C ' ' O ' ' A' ' 101' ' ' GLN . 22.0 t 34.43 41.82 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.451 ' HB3' HG21 ' A' ' 106' ' ' VAL . . . -71.2 143.99 89.12 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.523 0.677 . . . . 0.0 111.128 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.467 ' O ' HG23 ' A' ' 106' ' ' VAL . 53.8 Cg_endo -69.75 140.98 44.07 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.666 2.244 . . . . 0.0 112.358 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 44.07 60.52 3.47 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.502 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 104' ' ' PRO . 44.0 t -132.55 -64.43 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.89 0.376 . . . . 0.0 111.139 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 8.8 p -58.69 -32.86 47.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.132 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.43 ' HG3' ' CD2' ' A' ' 20' ' ' LEU . 15.1 mp0 -55.02 -45.8 75.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 11.1 mt -44.2 -30.89 0.85 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.912 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 48.6 t -92.88 -28.37 4.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.16 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 90.7 mt -70.71 -36.39 73.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.515 ' N ' ' HD2' ' A' ' 113' ' ' PRO . 3.7 mt -57.25 -58.0 21.03 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.629 0.728 . . . . 0.0 111.153 179.821 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.515 ' HD2' ' N ' ' A' ' 112' ' ' ILE . 54.2 Cg_endo -69.76 -21.87 32.87 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.678 2.252 . . . . 0.0 112.348 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 17.7 tp -51.36 -69.87 0.1 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.912 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.449 ' HA ' HD12 ' A' ' 118' ' ' LEU . 23.7 ptt180 -47.47 -48.0 27.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -45.56 -61.12 1.82 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 15.2 mmp_? -57.79 -50.72 72.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.461 HD23 HD21 ' A' ' 87' ' ' LEU . 34.5 mt -47.56 -41.76 22.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.947 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -54.78 -49.01 71.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -63.21 -35.59 80.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.428 ' HB3' ' CZ ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -64.15 -29.79 70.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.832 -179.935 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 18.8 tp60 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -179.914 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.638 ' HA ' HD12 ' A' ' 22' ' ' LEU . 1.5 mp0 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.834 0.35 . . . . 0.0 110.938 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.631 HD12 ' HE3' ' A' ' 23' ' ' TRP . 9.0 tp -60.93 -54.99 38.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.935 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -47.6 -40.2 18.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.638 HD12 ' HA ' ' A' ' 19' ' ' GLN . 6.5 mt -66.78 -56.6 9.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.934 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.7 ' CD1' ' CZ ' ' A' ' 115' ' ' ARG . 7.5 t90 -40.6 -41.51 1.49 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 44.0 t -65.24 -47.14 88.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.184 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.412 ' OD1' ' C ' ' A' ' 25' ' ' ASP . 0.6 OUTLIER -54.61 -30.78 55.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.872 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.417 ' ND2' ' O ' ' A' ' 22' ' ' LEU . 29.2 m-80 -62.77 -53.58 52.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 59.9 mt . . . . . 0 C--N 1.329 -0.299 0 CA-C-O 121.658 0.742 . . . . 0.0 111.167 179.887 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.465 ' O ' HD23 ' A' ' 45' ' ' LEU . 21.8 t70 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.841 0.353 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -76.06 -40.31 53.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.4 m -43.68 -24.29 0.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.82 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.26 94.15 6.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -41.43 -34.43 1.07 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.49 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 62.5 t -53.43 -51.95 36.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.882 0.372 . . . . 0.0 111.158 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.465 HD23 ' O ' ' A' ' 39' ' ' ASP . 34.7 tp -59.55 -38.78 81.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.91 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 88.7 t -56.7 -30.73 33.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.123 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.444 ' CB ' ' HE3' ' A' ' 60' ' ' MET . . . -64.69 -40.79 95.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.131 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 91.5 mt-10 -55.45 -46.59 76.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 24.5 t -50.48 -34.35 11.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.132 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 48.5 mt -74.6 -32.69 30.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.118 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 24.4 tptt -47.89 -46.36 31.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.904 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -52.89 -33.33 49.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.751 ' CE1' HD13 ' A' ' 118' ' ' LEU . 80.7 m-85 -88.41 -69.63 0.69 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.936 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -121.62 117.49 30.07 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.627 0.727 . . . . 0.0 110.879 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -13.6 34.81 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.684 2.256 . . . . 0.0 112.323 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.5 ptmt -94.75 -48.47 6.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 77.7 mmm -46.91 -35.79 6.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.409 ' CG1' ' HG2' ' A' ' 60' ' ' MET . 95.0 t -50.75 -63.34 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.116 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 59.33 49.79 8.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.444 ' HE3' ' CB ' ' A' ' 47' ' ' ALA . 7.3 mmt -84.17 61.29 6.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.878 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 17.4 m80 -119.5 -42.83 2.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.935 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.451 ' O ' HG23 ' A' ' 64' ' ' VAL . 0.4 OUTLIER -87.47 -52.05 5.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 -179.946 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 48.9 m-85 -44.83 147.58 0.63 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 62' ' ' ASN . 76.0 t -144.39 129.89 9.63 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.623 0.725 . . . . 0.0 111.116 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 107.84 1.94 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.696 2.264 . . . . 0.0 112.351 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -98.25 165.98 11.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.091 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 70.4 m-20 -100.17 -38.26 8.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.0 t -66.49 -176.24 0.44 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.447 HD22 ' HA ' ' A' ' 69' ' ' LEU . 1.5 tm? -92.88 -69.28 0.75 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.939 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.444 ' C ' ' O ' ' A' ' 69' ' ' LEU . 2.1 tm0? -34.49 -55.41 0.53 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 5.5 tm0? -42.77 -63.76 0.73 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -44.43 -55.3 5.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 15.5 mt -45.06 -42.16 8.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.928 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 9.8 t -55.75 -58.04 9.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.835 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -47.05 -56.97 5.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 45.5 m95 -43.59 -56.44 3.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -44.99 -37.97 5.75 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.512 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.479 ' CE1' ' HE2' ' A' ' 82' ' ' LYS . 3.2 t-160 -73.94 -40.95 62.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.804 0.335 . . . . 0.0 110.836 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 5.5 tp -63.75 -15.52 58.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.771 ' HA ' HD12 ' A' ' 84' ' ' LEU . 57.7 t-20 -81.91 -27.93 33.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 56.2 mtp180 -109.58 -5.37 15.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.479 ' HE2' ' CE1' ' A' ' 78' ' ' HIS . 15.2 mmtm -106.3 -37.46 6.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.426 ' O ' ' C ' ' A' ' 84' ' ' LEU . 87.4 t -112.02 -74.97 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.146 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.771 HD12 ' HA ' ' A' ' 80' ' ' ASN . 89.1 mt -34.87 -51.5 0.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -43.23 -56.25 3.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 179.816 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 14.6 mmm180 -57.34 -25.07 58.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.812 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.477 ' O ' ' CD ' ' A' ' 117' ' ' ARG . 15.9 mt -99.09 22.5 10.28 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.887 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 14.0 m-20 46.24 33.53 1.84 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.887 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -111.56 138.85 47.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.869 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.7 t -134.69 146.79 49.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 6.7 t -143.7 132.74 11.41 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.619 0.723 . . . . 0.0 111.134 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 -175.16 1.06 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.687 2.258 . . . . 0.0 112.365 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -83.31 -51.38 7.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -41.61 -41.34 2.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 42.9 t -68.26 -52.54 36.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.119 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 4.7 mtt -50.28 -41.56 50.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.93 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 54.5 mtp180 -58.69 -39.14 79.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 78.7 mttt -69.2 -53.62 19.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 66.3 mt -43.93 -63.93 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.099 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -56.82 -17.51 9.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.069 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 18.9 mm-40 -91.68 13.21 18.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.909 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 24.4 m 58.28 49.89 10.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.907 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -94.25 117.58 67.09 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.539 0.685 . . . . 0.0 111.07 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 143.61 51.15 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.635 2.224 . . . . 0.0 112.344 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 82.62 -13.88 39.26 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.487 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 90.9 t -83.99 -73.27 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.869 0.366 . . . . 0.0 111.159 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.405 HG13 ' N ' ' A' ' 108' ' ' GLU . 9.5 p -50.87 -39.58 19.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.155 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.521 ' HG3' HD21 ' A' ' 20' ' ' LEU . 8.0 mp0 -52.5 -48.09 66.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 33.4 mt -45.37 -24.16 0.27 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.934 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 74.9 t -91.95 -28.16 4.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.104 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 108' ' ' GLU . 95.2 mt -71.58 -40.59 69.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.537 ' N ' ' HD2' ' A' ' 113' ' ' PRO . 3.5 mt -50.77 -57.81 12.22 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.63 0.728 . . . . 0.0 111.128 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.537 ' HD2' ' N ' ' A' ' 112' ' ' ILE . 54.1 Cg_endo -69.77 -40.18 5.61 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.647 2.231 . . . . 0.0 112.342 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 25.3 tp -39.59 -54.25 2.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.7 ' CZ ' ' CD1' ' A' ' 23' ' ' TRP . 5.1 ttm180 -58.17 -59.36 5.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.935 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 115' ' ' ARG . 36.5 mt-30 -37.67 -51.57 1.23 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.477 ' CD ' ' O ' ' A' ' 87' ' ' LEU . 9.0 mtt-85 -64.04 -50.69 67.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.842 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.751 HD13 ' CE1' ' A' ' 53' ' ' TYR . 49.7 mt -51.1 -37.58 46.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.937 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -69.46 -32.92 72.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.946 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -77.63 -39.16 46.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 26.2 mmt-85 -61.81 -43.07 99.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 10.9 tp60 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 -179.919 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 29.4 mm100 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.806 0.336 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.432 HD11 ' HB3' ' A' ' 111' ' ' LEU . 6.4 tp -70.95 -43.44 68.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -62.98 -21.86 66.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 81.2 mt -81.5 -34.56 31.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.94 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.418 ' CH2' HG11 ' A' ' 49' ' ' VAL . 20.5 t90 -58.73 -46.46 87.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.944 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 67.5 t -64.48 -27.34 42.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.106 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -47.75 -54.65 11.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.85 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -44.05 -33.94 1.61 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.884 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.46 ' CD1' HG13 ' A' ' 49' ' ' VAL . 3.1 mt . . . . . 0 C--N 1.328 -0.336 0 CA-C-O 121.637 0.732 . . . . 0.0 111.157 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 40' ' ' PHE . 17.0 t0 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.815 0.34 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.424 ' O ' ' C ' ' A' ' 41' ' ' SER . 9.5 m-85 -36.03 -40.36 0.2 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.859 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 40' ' ' PHE . 35.7 m -36.44 -60.18 0.6 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.836 -179.772 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -52.54 143.18 16.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -85.78 43.73 3.28 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.487 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 60.8 t -120.17 -66.38 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.862 0.363 . . . . 0.0 111.128 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 10.4 tp -52.75 -36.37 57.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 79.2 t -52.72 -39.53 31.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.111 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.51 -34.69 69.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.142 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -58.31 -47.51 83.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.46 HG13 ' CD1' ' A' ' 27' ' ' ILE . 84.9 t -48.15 -46.08 13.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.116 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.551 HG23 ' CD2' ' A' ' 118' ' ' LEU . 37.6 mt -62.7 -38.71 82.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.094 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.401 ' C ' ' HD2' ' A' ' 51' ' ' LYS . 0.5 OUTLIER -42.58 -54.61 3.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 179.86 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -39.32 -42.87 1.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.85 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 99.4 m-85 -86.98 -64.59 1.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.904 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.414 ' HA ' ' HD2' ' A' ' 55' ' ' PRO . 50.2 m-85 -112.93 89.17 13.08 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.666 0.746 . . . . 0.0 110.916 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 54' ' ' PHE . 53.9 Cg_endo -69.76 -2.53 10.32 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.729 2.286 . . . . 0.0 112.351 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 16.9 pttm -91.24 -52.94 4.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.937 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 18.3 mtm -47.9 -53.84 14.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.919 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 79.4 t -43.26 127.51 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.152 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -132.79 52.74 2.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.501 ' HE1' ' CB ' ' A' ' 63' ' ' TYR . 14.4 mmt -54.13 -14.98 1.25 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.835 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 60.5 m80 -44.83 -48.08 11.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.816 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.611 ' O ' HG23 ' A' ' 64' ' ' VAL . 8.0 p30 -88.5 -51.24 5.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.501 ' CB ' ' HE1' ' A' ' 60' ' ' MET . 71.4 m-85 -52.47 124.76 14.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.647 HG13 ' HD2' ' A' ' 65' ' ' PRO . 84.6 t -132.79 138.43 31.92 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.63 0.728 . . . . 0.0 111.15 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.647 ' HD2' HG13 ' A' ' 64' ' ' VAL . 53.9 Cg_endo -69.77 127.69 14.95 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.722 2.281 . . . . 0.0 112.311 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.419 ' CB ' ' HG2' ' A' ' 71' ' ' GLN . . . -129.96 173.93 10.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.06 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 58.7 m-20 -120.4 42.13 3.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 73.4 m -147.2 130.45 16.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 53.3 mt -48.55 -47.08 39.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.93 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -43.02 -51.76 5.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.419 ' HG2' ' CB ' ' A' ' 66' ' ' ALA . 55.4 tp60 -66.72 -51.25 58.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 42.8 mmtt -40.86 -61.94 0.89 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.624 HD21 ' HA ' ' A' ' 97' ' ' ARG . 19.1 mt -57.45 -50.13 74.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.937 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 34.0 t -42.45 -56.09 3.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 -54.21 -53.29 55.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 45.0 m95 -43.26 -62.86 0.93 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.892 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -41.36 -42.58 3.4 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.439 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 5.7 m170 -70.59 -40.46 73.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.809 0.338 . . . . 0.0 110.796 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 7.4 tp -69.29 -12.14 61.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.922 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.403 HD22 ' CE ' ' A' ' 96' ' ' MET . 31.5 t-20 -80.18 -33.08 38.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 44.8 mtt85 -105.06 -1.36 25.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 16.3 mttp -108.45 -30.06 8.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 67.7 t -115.22 -73.35 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.138 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 35.8 mt -41.96 -54.88 3.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 18.2 tttt -42.16 -42.68 3.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 21.4 mmt-85 -69.22 -36.16 76.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 16.6 mt -85.78 29.48 0.71 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.935 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 6.8 m120 42.74 25.87 0.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -100.64 174.84 5.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 30.4 m -165.55 129.97 2.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 15.8 t -128.15 132.99 24.66 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.61 0.719 . . . . 0.0 111.101 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 165.36 31.21 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.684 2.256 . . . . 0.0 112.362 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -77.7 -19.37 55.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.911 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -72.99 -32.93 65.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.849 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 18.7 t -80.82 -29.06 11.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.133 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.466 ' HA ' HD12 ' A' ' 99' ' ' ILE . 10.2 mtt -69.36 -49.7 53.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.889 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.624 ' HA ' HD21 ' A' ' 73' ' ' LEU . 15.5 ptt85 -47.35 -47.91 25.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.497 ' N ' ' CG ' ' A' ' 97' ' ' ARG . 32.1 mttm -55.84 -52.16 65.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.466 HD12 ' HA ' ' A' ' 96' ' ' MET . 54.5 mt -50.72 -55.94 5.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.132 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.85 -24.8 59.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.121 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 38.0 mm-40 -82.78 6.69 17.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.942 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 4.0 t 63.59 50.44 2.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -98.66 119.53 61.08 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.59 0.709 . . . . 0.0 111.15 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 131.42 21.23 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.676 2.251 . . . . 0.0 112.353 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 109.71 -63.88 0.27 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.49 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.5 t -43.17 -58.57 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.872 0.368 . . . . 0.0 111.149 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.568 HG13 ' N ' ' A' ' 108' ' ' GLU . 7.3 p -50.68 -50.26 23.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.144 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.568 ' N ' HG13 ' A' ' 107' ' ' VAL . 2.6 mp0 -51.72 -48.71 63.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.943 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 95.3 mt -51.0 -20.19 1.28 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.896 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 4.2 t -93.29 -26.7 4.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.116 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.432 ' HB3' HD11 ' A' ' 20' ' ' LEU . 91.1 mt -74.17 -37.38 64.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.535 ' N ' ' HD2' ' A' ' 113' ' ' PRO . 3.8 mt -55.63 -57.99 18.11 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.631 0.729 . . . . 0.0 111.085 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.535 ' HD2' ' N ' ' A' ' 112' ' ' ILE . 53.5 Cg_endo -69.75 -43.0 2.92 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.68 2.253 . . . . 0.0 112.316 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 4.6 tp -43.72 -50.49 7.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.425 ' HD3' ' C ' ' A' ' 115' ' ' ARG . 1.1 tmt_? -63.41 -44.62 94.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -53.76 -28.05 32.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -81.7 -57.6 3.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.863 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.551 ' CD2' HG23 ' A' ' 50' ' ' ILE . 21.2 mt -43.21 -45.61 5.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.958 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -61.94 -46.23 90.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -53.25 -50.13 65.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -59.49 -37.7 78.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 -179.949 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.7 t -169.21 164.12 10.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.872 0.368 . . . . 0.0 110.856 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.0 m -67.75 93.81 0.41 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.84 143.32 14.52 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.471 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 m -158.86 122.04 3.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.872 0.367 . . . . 0.0 110.895 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.3 m -90.46 129.13 36.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.85 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 73.1 152.14 1.84 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.489 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 37.7 mtm -92.05 121.14 33.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.78 0.324 . . . . 0.0 110.854 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -75.05 113.8 12.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.11 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 86.9 p -64.38 -44.01 92.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.84 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 25.2 p -108.41 173.68 6.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 99.6 t -93.21 129.45 43.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.091 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 -94.42 174.59 7.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -67.78 -26.02 65.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.401 ' HG3' ' N ' ' A' ' 16' ' ' ALA . 11.8 pt-20 -66.76 -42.13 86.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.401 ' N ' ' HG3' ' A' ' 15' ' ' GLU . . . -46.49 -44.61 17.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.051 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 33.6 mt -51.75 -58.4 6.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 8.3 t-160 -49.42 -54.09 19.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -49.17 -37.48 22.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.481 ' CD2' ' HG2' ' A' ' 108' ' ' GLU . 7.0 tp -77.33 -29.39 53.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 8.5 m-30 -72.82 -33.96 66.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.2 mt -78.78 -43.51 25.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.959 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 11.0 t90 -46.21 -47.88 17.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 63.4 t -56.52 -59.77 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.127 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -47.53 -46.25 27.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.873 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -47.29 -49.23 24.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.852 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.414 HG23 ' HD2' ' A' ' 28' ' ' PRO . 60.5 mt -65.76 131.97 94.77 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.578 0.704 . . . . 0.0 111.14 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.414 ' HD2' HG23 ' A' ' 27' ' ' ILE . 53.5 Cg_endo -69.81 94.64 0.54 Allowed 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.683 2.256 . . . . 0.0 112.276 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.587 HD11 HG22 ' A' ' 49' ' ' VAL . 14.8 mt -110.33 131.66 54.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.907 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.9 p -69.48 72.91 0.34 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.855 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 29.7 ptt180 -143.35 143.84 25.8 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.597 0.713 . . . . 0.0 110.842 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 -165.82 0.17 Allowed 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.722 2.282 . . . . 0.0 112.364 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.43 110.75 21.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.874 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 26.7 ptt180 -171.53 153.27 3.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.846 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -44.57 148.26 0.51 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.924 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.0 pp -89.12 -23.08 22.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.6 t -79.21 -23.89 43.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 7.8 mtm105 -88.56 -25.61 22.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.901 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -84.68 -60.9 1.92 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.549 ' CE1' HD12 ' A' ' 45' ' ' LEU . 5.8 m-85 -39.8 -43.54 1.45 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.1 t -41.6 -43.67 2.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.928 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.496 ' CG ' ' N ' ' A' ' 43' ' ' GLY . 0.4 OUTLIER -49.03 -52.22 26.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.845 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.496 ' N ' ' CG ' ' A' ' 42' ' ' ASP . . . 114.22 -47.74 1.01 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.462 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.4 ' N ' ' OD2' ' A' ' 42' ' ' ASP . 61.8 t -56.06 -20.34 9.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.821 0.344 . . . . 0.0 111.103 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.549 HD12 ' CE1' ' A' ' 40' ' ' PHE . 0.7 OUTLIER -74.05 -32.7 63.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 37.6 t -65.57 -41.88 91.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.104 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.18 -27.74 68.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.133 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -69.97 -48.91 56.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.864 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.587 HG22 HD11 ' A' ' 29' ' ' LEU . 51.2 t -49.1 -41.87 14.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.123 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.403 ' O ' ' C ' ' A' ' 51' ' ' LYS . 28.8 mt -66.21 -45.23 90.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.13 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 50' ' ' ILE . 19.1 tptp -37.95 -40.82 0.5 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.938 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -58.47 -52.58 65.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 -73.97 -55.78 5.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.954 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -127.2 93.15 42.1 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.64 0.733 . . . . 0.0 110.903 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -36.54 10.5 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.726 2.284 . . . . 0.0 112.35 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.9 ptmm? -60.99 -49.74 76.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 19.4 mmm -48.52 -52.51 22.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 41.5 t -67.16 147.31 12.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.129 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -118.91 -41.5 2.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 22.2 mmt 48.5 46.51 20.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.909 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 25.6 t-80 -126.66 -30.02 2.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 28.6 m-80 -94.72 -50.61 5.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -58.51 139.78 55.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 89.1 t -134.53 131.16 20.23 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.641 0.734 . . . . 0.0 111.139 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 122.01 8.7 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.686 2.257 . . . . 0.0 112.36 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -133.72 178.07 7.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.089 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 26.0 p30 -126.38 38.88 4.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.8 t -139.2 129.99 26.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 31.6 tp -45.57 -48.97 14.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.932 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -41.43 -58.05 2.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.945 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 17.1 mm100 -66.4 -44.65 82.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 20.1 mmtp -44.6 -64.2 0.74 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 15.4 mt -56.43 -47.33 79.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.915 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.9 t -51.52 -35.42 40.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -74.22 -49.39 23.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.889 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 38.7 m95 -56.81 -48.59 77.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.936 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -43.85 -50.81 7.22 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.516 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -64.94 -49.26 71.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.812 0.339 . . . . 0.0 110.845 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.7 tp -53.92 -15.82 1.55 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.53 ' HA ' HD12 ' A' ' 84' ' ' LEU . 36.6 t-20 -84.3 -28.7 26.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 38.1 mtm180 -110.72 4.3 19.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.885 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 41.9 mmtt -118.32 -34.54 4.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 72.2 t -111.06 -67.45 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.151 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.53 HD12 ' HA ' ' A' ' 80' ' ' ASN . 85.4 mt -44.06 -57.13 3.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.957 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 84' ' ' LEU . 52.5 tttt -37.65 -58.07 0.92 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.906 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -50.84 -36.52 37.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 84' ' ' LEU . 8.8 mt -90.29 29.02 1.31 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.898 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 47.3 t30 40.82 25.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.9 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.44 ' N ' ' O ' ' A' ' 87' ' ' LEU . 14.9 t80 -98.78 132.91 43.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 46.1 m -129.84 147.87 51.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.881 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.632 HG13 ' HD2' ' A' ' 92' ' ' PRO . 94.0 t -152.12 137.54 11.09 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.618 0.723 . . . . 0.0 111.141 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.638 ' HG2' HG23 ' A' ' 95' ' ' VAL . 54.3 Cg_endo -69.73 161.3 46.44 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.739 2.293 . . . . 0.0 112.326 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -65.61 -43.45 89.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -48.14 -41.87 27.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.638 HG23 ' HG2' ' A' ' 92' ' ' PRO . 69.6 t -69.37 -41.85 80.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.144 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.517 ' HA ' HD12 ' A' ' 99' ' ' ILE . 11.9 mtm -60.08 -52.13 66.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.882 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 65.1 mtt-85 -41.2 -45.71 2.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.842 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.709 ' HB2' HG11 ' A' ' 106' ' ' VAL . 45.6 mttt -65.78 -44.98 84.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.922 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.582 HG23 ' HB ' ' A' ' 107' ' ' VAL . 82.7 mt -52.52 -59.18 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.134 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -55.6 -26.4 43.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.109 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 35.1 mm-40 -85.24 25.05 1.04 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 42.6 t 42.3 53.49 4.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -86.46 128.29 57.6 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.612 0.72 . . . . 0.0 111.103 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 128.12 15.58 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.71 2.273 . . . . 0.0 112.351 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 90.45 -38.43 3.22 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.504 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.709 HG11 ' HB2' ' A' ' 98' ' ' LYS . 58.1 t -58.01 -68.3 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.88 0.371 . . . . 0.0 111.155 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.582 ' HB ' HG23 ' A' ' 99' ' ' ILE . 2.1 p -57.75 -31.67 40.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.11 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.481 ' HG2' ' CD2' ' A' ' 20' ' ' LEU . 1.6 tm-20 -64.62 -37.61 88.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 38.1 mt -58.53 -13.94 6.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 53.6 t -104.85 -24.18 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.123 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 81.7 mt -69.73 -41.32 75.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.948 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.532 ' N ' ' HD2' ' A' ' 113' ' ' PRO . 3.8 mt -55.62 -57.85 18.84 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.637 0.732 . . . . 0.0 111.157 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.532 ' HD2' ' N ' ' A' ' 112' ' ' ILE . 53.8 Cg_endo -69.71 -32.24 19.17 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.713 2.275 . . . . 0.0 112.353 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 13.2 tp -51.87 -50.4 61.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.977 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.595 ' HA ' HD12 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -63.66 -44.76 92.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.91 179.895 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -55.13 -35.47 64.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.9 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 120' ' ' GLU . 47.5 mmt-85 -69.76 -57.86 4.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.595 HD12 ' HA ' ' A' ' 115' ' ' ARG . 22.0 mt -37.6 -53.64 1.2 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.93 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.494 ' OE2' ' NE ' ' A' ' 115' ' ' ARG . 45.7 mt-10 -54.87 -39.91 69.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 117' ' ' ARG . 14.3 tt0 -51.88 -33.13 35.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.891 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 9.3 mmp_? -77.81 -36.27 50.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.886 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 11.6 tm0? -54.81 -55.25 32.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.461 ' CG ' ' N ' ' A' ' 124' ' ' ARG . 1.1 ptm85 -58.92 -48.01 83.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.871 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.461 ' N ' ' CG ' ' A' ' 123' ' ' ARG . 7.6 mmm180 -40.77 129.08 2.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -83.13 76.01 9.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 1.1 mmmm -81.17 133.45 35.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.931 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.521 -0.231 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.5 t -112.26 124.68 52.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.89 0.376 . . . . 0.0 110.827 -179.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.7 m -94.48 101.09 12.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.864 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.93 121.13 0.72 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.528 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.9 m -154.61 168.12 27.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.864 0.364 . . . . 0.0 110.884 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.6 p -98.27 -46.65 5.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.72 79.35 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.481 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 32.7 mtt 52.17 44.15 29.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.768 0.318 . . . . 0.0 110.9 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -115.9 93.51 4.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.098 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 10.4 t -163.01 166.91 23.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.86 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 37.3 m -92.49 163.25 13.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.837 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.682 HG12 ' O ' ' A' ' 12' ' ' VAL . 39.7 t -109.54 35.78 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.098 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -52.8 174.27 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -55.01 -16.26 2.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -76.56 -42.16 43.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.87 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -49.44 -40.67 37.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.154 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.407 HD23 ' HA ' ' A' ' 17' ' ' LEU . 25.7 mt -50.79 -56.29 12.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.472 ' O ' ' N ' ' A' ' 21' ' ' TYR . 20.1 t-160 -50.76 -53.58 30.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -39.73 -39.56 0.79 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.495 HD23 ' OE1' ' A' ' 108' ' ' GLU . 12.2 tp -71.73 -37.41 70.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.476 ' CE1' ' OE1' ' A' ' 108' ' ' GLU . 16.0 m-85 -63.81 -47.73 79.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 39.1 mt -52.06 -45.75 64.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.858 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 18.2 t90 -49.56 -31.58 10.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.898 HG13 HD12 ' A' ' 29' ' ' LEU . 97.6 t -67.91 -52.51 38.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.174 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -42.86 -51.12 5.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 20.0 t30 -46.48 -38.35 9.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 91.8 mt -90.8 131.63 37.04 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.614 0.721 . . . . 0.0 111.125 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 92.73 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.651 2.234 . . . . 0.0 112.354 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.898 HD12 HG13 ' A' ' 24' ' ' VAL . 27.4 mt -101.69 157.45 16.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 40.5 t -105.8 122.6 46.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.835 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.464 ' N ' ' NE ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -174.94 145.64 0.92 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.642 0.734 . . . . 0.0 110.849 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.449 ' O ' ' C ' ' A' ' 33' ' ' LYS . 53.9 Cg_endo -69.74 159.85 51.89 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.726 2.284 . . . . 0.0 112.352 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 32' ' ' PRO . 0.0 OUTLIER -34.48 -47.85 0.33 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 179.879 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.446 ' NH2' ' NH1' ' A' ' 38' ' ' ARG . 22.2 ttp180 -38.76 138.5 0.52 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.921 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.414 ' C ' ' O ' ' A' ' 34' ' ' ARG . 3.2 t30 -36.76 139.5 0.19 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.701 HD12 ' N ' ' A' ' 37' ' ' SER . 4.3 pp -62.8 -43.11 99.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.949 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.701 ' N ' HD12 ' A' ' 36' ' ' LEU . 36.0 t -37.78 -43.66 0.68 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.846 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.446 ' NH1' ' NH2' ' A' ' 34' ' ' ARG . 2.0 tmt_? -61.95 -46.96 87.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.839 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -63.52 -46.65 85.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.842 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.49 ' O ' ' N ' ' A' ' 42' ' ' ASP . 7.7 m-85 -51.62 -33.08 31.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 40' ' ' PHE . 31.1 t -36.21 -30.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.887 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.49 ' N ' ' O ' ' A' ' 40' ' ' PHE . 3.9 p30 -101.76 146.76 27.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.845 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 44' ' ' VAL . . . -69.37 -33.55 73.03 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.469 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.421 ' C ' ' O ' ' A' ' 43' ' ' GLY . 77.4 t -36.36 -57.06 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.878 0.37 . . . . 0.0 111.106 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 27.7 tp -63.89 -50.2 69.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 93.1 t -44.48 -47.83 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.145 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -48.62 -41.64 31.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.07 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -54.35 -43.88 71.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 99.5 t -49.53 -51.73 14.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.118 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.789 HD13 HG11 ' A' ' 83' ' ' VAL . 12.5 mt -58.05 -47.29 87.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.128 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.447 ' CD ' ' HB3' ' A' ' 55' ' ' PRO . 0.3 OUTLIER -35.34 -64.43 0.28 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 179.842 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.434 ' C ' ' O ' ' A' ' 51' ' ' LYS . 11.5 t80 -35.7 -60.44 0.52 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 -63.71 -59.58 4.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.936 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.414 ' HA ' ' HD2' ' A' ' 55' ' ' PRO . 55.6 m-85 -130.06 96.8 24.55 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.651 0.739 . . . . 0.0 110.893 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.447 ' HB3' ' CD ' ' A' ' 51' ' ' LYS . 53.8 Cg_endo -69.84 -18.61 36.53 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.679 2.253 . . . . 0.0 112.315 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 15.3 ptpt -77.21 -33.07 56.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.919 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 80.4 mtp -65.17 -46.9 78.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.871 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 92.4 t -63.53 136.89 25.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.084 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -100.98 -51.81 3.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 8.3 mmt 42.91 43.64 3.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.857 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 69.5 t60 -122.99 -18.24 6.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.817 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 14.0 p30 -124.37 -28.59 3.63 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 58.7 m-85 -68.43 120.78 15.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.917 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.59 HG13 ' HD2' ' A' ' 65' ' ' PRO . 83.9 t -125.76 136.97 29.11 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.631 0.729 . . . . 0.0 111.152 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.59 ' HD2' HG13 ' A' ' 64' ' ' VAL . 53.8 Cg_endo -69.78 125.04 11.68 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.676 2.25 . . . . 0.0 112.368 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -130.33 171.66 12.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.123 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 25.6 p-10 -114.92 25.77 10.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.879 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 70.4 m -123.08 131.67 53.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.82 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 25.7 tp -51.11 -48.15 61.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.909 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -50.01 -47.9 52.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 18.0 tp60 -64.23 -47.11 80.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 15.6 mmtp -46.02 -65.28 0.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 90.6 mt -54.26 -46.22 72.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.2 t -44.21 -44.05 7.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -72.33 -34.65 68.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 42.7 m95 -65.67 -59.77 3.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.956 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -44.51 -43.69 7.85 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.474 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 4.2 t-160 -67.79 -45.93 73.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.805 0.336 . . . . 0.0 110.86 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 5.2 tp -58.07 -18.12 22.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.933 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.709 ' HA ' HD12 ' A' ' 84' ' ' LEU . 57.7 t-20 -75.18 -36.78 61.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.822 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 15.7 mtp180 -105.65 3.45 29.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.845 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.459 ' O ' ' CZ ' ' A' ' 86' ' ' ARG . 23.9 mmtt -111.76 -22.87 10.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.789 HG11 HD13 ' A' ' 50' ' ' ILE . 46.7 t -130.92 -68.79 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.118 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.709 HD12 ' HA ' ' A' ' 80' ' ' ASN . 77.1 mt -40.93 -49.84 3.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.92 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 84' ' ' LEU . 33.3 ttpt -35.31 -57.32 0.6 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.929 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.508 ' CD ' ' H ' ' A' ' 86' ' ' ARG . 0.3 OUTLIER -52.71 -39.11 61.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.838 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.591 HD21 HD23 ' A' ' 118' ' ' LEU . 10.6 mt -86.71 28.93 0.83 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.426 ' C ' ' O ' ' A' ' 87' ' ' LEU . 8.0 m-20 36.09 36.73 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.597 ' CE1' HG13 ' A' ' 110' ' ' VAL . 8.5 t80 -111.57 121.94 46.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 53.3 m -122.54 126.56 48.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.662 HG13 ' HD2' ' A' ' 92' ' ' PRO . 86.3 t -119.55 138.71 26.9 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.613 0.721 . . . . 0.0 111.113 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.662 ' HD2' HG13 ' A' ' 91' ' ' VAL . 53.6 Cg_endo -69.74 -175.01 1.01 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.732 2.288 . . . . 0.0 112.331 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -90.65 -46.8 8.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.87 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -51.56 -20.32 1.88 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.87 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.494 ' CG2' ' HG2' ' A' ' 92' ' ' PRO . 37.6 t -87.89 -38.0 11.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 7.6 mtt -68.91 -43.84 74.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 24.3 mtm180 -52.5 -31.72 36.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.87 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 3.7 mtpm? -80.87 -42.67 21.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.487 HG23 ' HB ' ' A' ' 107' ' ' VAL . 96.6 mt -53.79 -50.41 52.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.144 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -69.97 -19.15 63.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.123 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 102' ' ' CYS . 9.4 mm-40 -92.24 28.29 1.96 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.922 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . 0.407 ' C ' ' O ' ' A' ' 101' ' ' GLN . 20.0 p 36.99 52.82 1.1 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.686 ' HB1' ' HD2' ' A' ' 104' ' ' PRO . . . -75.73 163.37 67.59 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.574 0.702 . . . . 0.0 111.073 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.686 ' HD2' ' HB1' ' A' ' 103' ' ' ALA . 53.6 Cg_endo -69.77 119.65 6.56 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.7 2.266 . . . . 0.0 112.311 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 104' ' ' PRO . . . 35.1 85.6 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.496 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 57.6 t -134.41 -58.48 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.876 0.369 . . . . 0.0 111.162 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.487 ' HB ' HG23 ' A' ' 99' ' ' ILE . 6.3 p -61.55 -33.98 59.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.121 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.685 ' HA ' HD12 ' A' ' 111' ' ' LEU . 10.6 mm-40 -57.15 -30.74 64.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 35.2 mt -65.17 -25.1 67.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.597 HG13 ' CE1' ' A' ' 89' ' ' PHE . 45.0 t -93.64 -15.97 7.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.107 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.685 HD12 ' HA ' ' A' ' 108' ' ' GLU . 45.0 mt -82.68 -28.49 30.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.948 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.53 ' N ' ' HD2' ' A' ' 113' ' ' PRO . 3.8 mt -58.07 -57.87 22.81 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.612 0.72 . . . . 0.0 111.109 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.53 ' HD2' ' N ' ' A' ' 112' ' ' ILE . 53.9 Cg_endo -69.74 -35.16 13.2 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.659 2.239 . . . . 0.0 112.359 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 6.3 tp -45.89 -38.35 7.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 44.0 ttp180 -73.96 -42.11 60.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -61.39 -34.58 75.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.934 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 29.5 mmt-85 -71.96 -46.21 58.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.591 HD23 HD21 ' A' ' 87' ' ' LEU . 17.0 mt -64.22 -49.97 69.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -49.13 -33.88 12.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -52.25 -51.07 60.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 48.6 mtt85 -72.81 -31.87 65.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.834 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.433 ' O ' ' C ' ' A' ' 123' ' ' ARG . 13.6 tt0 -51.32 -42.89 61.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.904 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 122' ' ' GLN . 38.0 ptt85 -35.05 -41.33 0.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.855 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 26.8 mmm-85 -39.26 128.61 1.77 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 19.5 mmm180 -43.5 141.08 1.5 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.841 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 19.2 ttpp -148.93 159.61 44.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 5.1 pm0 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 179.95 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.8 p -119.07 -48.19 2.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.942 0.401 . . . . 0.0 110.907 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.4 m -41.86 162.71 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.842 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.32 -172.47 15.62 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.493 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.7 t -162.63 123.42 2.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.891 0.377 . . . . 0.0 110.856 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.4 p -113.34 176.15 5.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.87 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.89 75.5 0.31 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.472 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -72.82 160.91 31.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.793 0.33 . . . . 0.0 110.848 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -80.45 153.1 28.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.127 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 70.2 m -155.85 170.69 21.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.821 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.2 m -81.73 157.51 24.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.873 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 92.4 t -44.36 144.71 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.157 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -132.55 170.86 14.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.743 ' HA ' HD12 ' A' ' 17' ' ' LEU . 8.0 pt-20 -54.08 -41.37 68.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.929 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -54.37 -41.01 68.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.53 -34.18 77.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.1 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.743 HD12 ' HA ' ' A' ' 14' ' ' GLU . 24.1 mt -64.65 -51.0 64.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.912 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 10.9 t-160 -50.51 -53.63 28.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 33.9 mm-40 -45.33 -30.9 1.41 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.938 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.0 tp -82.95 -33.88 26.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -67.09 -37.53 84.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.938 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 21.6 mt -62.13 -57.05 13.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.92 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.503 ' CD2' ' HD2' ' A' ' 115' ' ' ARG . 6.5 t90 -39.59 -42.19 1.14 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 69.4 t -65.64 -53.63 36.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.124 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -49.75 -43.96 48.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -51.8 -54.86 24.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.463 HG23 ' HD2' ' A' ' 28' ' ' PRO . 79.7 mt -59.7 133.35 89.11 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.612 0.72 . . . . 0.0 111.156 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.463 ' HD2' HG23 ' A' ' 27' ' ' ILE . 53.9 Cg_endo -69.74 117.13 4.9 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.676 2.251 . . . . 0.0 112.363 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 21.6 mt -142.35 118.15 10.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.922 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.9 t -38.83 -52.08 1.73 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 32.7 mtt85 -46.8 158.81 0.4 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.531 0.681 . . . . 0.0 110.909 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -167.87 0.25 Allowed 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.699 2.266 . . . . 0.0 112.357 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.435 ' HD2' ' N ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -123.97 49.81 1.71 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.901 179.893 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -96.68 -179.11 4.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -39.9 104.04 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.534 HD12 ' N ' ' A' ' 37' ' ' SER . 4.3 pp -73.24 -38.8 65.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.911 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.534 ' N ' HD12 ' A' ' 36' ' ' LEU . 22.8 t -40.79 -38.49 0.93 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 13.6 tpp180 -91.19 -23.18 20.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.467 ' N ' ' O ' ' A' ' 36' ' ' LEU . 26.6 t0 -81.07 -64.23 1.23 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.435 ' O ' ' C ' ' A' ' 41' ' ' SER . 2.9 m-85 -45.58 -48.09 14.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 40' ' ' PHE . 2.4 m -35.54 -34.71 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.895 -179.8 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 40' ' ' PHE . 4.7 t70 -46.34 -52.81 12.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.848 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 113.08 -48.97 0.88 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.507 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.453 ' O ' ' HE1' ' A' ' 60' ' ' MET . 47.2 t -58.47 -37.02 61.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.845 0.355 . . . . 0.0 111.089 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 14.3 tp -69.19 -41.77 76.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 91.4 t -49.03 -36.04 7.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.134 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.35 -48.5 75.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.104 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -45.6 -51.21 12.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 81.2 t -49.1 -42.16 14.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.112 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 37.9 mt -66.86 -35.27 74.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.14 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 30.4 tptt -45.13 -51.86 9.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.891 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 43.8 t80 -43.28 -50.94 6.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -73.38 -58.05 3.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.935 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -132.69 120.6 16.71 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.638 0.732 . . . . 0.0 110.876 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -44.98 1.77 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.691 2.261 . . . . 0.0 112.365 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 37.4 mtpt -59.85 -52.4 65.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 64.6 mmm -38.54 -33.21 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.863 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 67.3 t -86.93 129.95 37.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.088 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.513 ' O ' ' CD2' ' A' ' 63' ' ' TYR . 27.3 mt-10 -129.92 71.67 1.46 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.453 ' HE1' ' O ' ' A' ' 44' ' ' VAL . 23.6 mmt -65.8 -39.56 91.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 24.1 t-80 -38.65 -35.22 0.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.839 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -90.46 -52.63 4.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.544 ' CZ ' HD12 ' A' ' 79' ' ' LEU . 41.2 m-85 -64.49 129.5 40.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.412 HG13 ' HD2' ' A' ' 65' ' ' PRO . 97.6 t -123.0 132.09 24.31 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.624 0.726 . . . . 0.0 111.084 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.412 ' HD2' HG13 ' A' ' 64' ' ' VAL . 54.4 Cg_endo -69.71 116.33 4.5 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.682 2.255 . . . . 0.0 112.376 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -114.26 168.47 9.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.097 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -94.58 -67.7 0.84 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 21.5 t -50.25 169.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.85 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.543 HD22 ' NE2' ' A' ' 101' ' ' GLN . 0.8 OUTLIER -89.12 -37.68 14.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.421 ' N ' ' HG ' ' A' ' 69' ' ' LEU . 1.5 pp0? -42.7 -42.27 3.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 43.2 tp60 -71.08 -41.49 70.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.46 ' CG ' ' HA ' ' A' ' 69' ' ' LEU . 47.1 mmtt -39.31 -66.73 0.26 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 18.5 mt -43.1 -45.05 5.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.6 t -49.37 -53.45 22.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 43.8 m-20 -59.81 -60.13 4.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.883 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 34.4 m95 -42.29 -50.44 4.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -44.51 -45.42 8.48 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.44 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 49.0 m170 -68.88 -48.02 64.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.833 0.349 . . . . 0.0 110.873 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.544 HD12 ' CZ ' ' A' ' 63' ' ' TYR . 3.0 tp -58.24 -13.54 5.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.494 ' HA ' HD12 ' A' ' 84' ' ' LEU . 36.5 t-20 -86.13 -30.07 22.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.921 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 64.6 mtp180 -109.5 0.67 19.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.1 mmpt? -113.78 -37.04 4.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.865 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 97.2 t -107.76 -70.02 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.089 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.494 HD12 ' HA ' ' A' ' 80' ' ' ASN . 73.4 mt -40.49 -61.7 0.88 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.862 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 84' ' ' LEU . 24.0 ttpp -37.01 -51.64 0.94 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -53.5 -44.73 69.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.405 ' N ' ' O ' ' A' ' 84' ' ' LEU . 10.0 mt -87.17 31.85 0.71 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 40.09 36.93 0.34 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.438 ' CD2' HD22 ' A' ' 84' ' ' LEU . 12.9 t80 -109.77 143.33 39.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.569 ' O ' HG23 ' A' ' 91' ' ' VAL . 57.7 m -133.32 163.77 28.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 -179.764 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 90' ' ' SER . 10.8 t -159.53 129.73 3.5 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.59 0.709 . . . . 0.0 111.163 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.672 ' HG2' HG23 ' A' ' 95' ' ' VAL . 53.7 Cg_endo -69.78 155.27 66.28 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.658 2.239 . . . . 0.0 112.37 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -61.52 -34.95 76.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.864 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -56.04 -45.63 79.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.672 HG23 ' HG2' ' A' ' 92' ' ' PRO . 87.7 t -71.19 -36.83 63.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.115 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 4.5 mtt -58.31 -50.16 74.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 20.7 mtp85 -47.81 -54.19 13.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.542 ' CB ' HG11 ' A' ' 106' ' ' VAL . 14.5 mttm -53.99 -59.99 3.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.915 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 71.8 mt -45.25 -49.58 3.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.116 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -60.11 -27.02 66.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.111 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.543 ' NE2' HD22 ' A' ' 69' ' ' LEU . 19.5 mm-40 -84.45 12.8 6.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.942 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 99.8 m 56.43 46.58 20.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -81.08 136.75 49.97 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.608 0.718 . . . . 0.0 111.078 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 131.43 21.3 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.747 2.298 . . . . 0.0 112.37 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.453 ' O ' ' C ' ' A' ' 106' ' ' VAL . . . 84.55 -58.64 4.98 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.505 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.542 HG11 ' CB ' ' A' ' 98' ' ' LYS . 39.3 t -33.81 -53.63 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.875 0.369 . . . . 0.0 111.131 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.523 HG13 ' N ' ' A' ' 108' ' ' GLU . 8.8 p -67.84 -46.66 81.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.122 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.523 ' N ' HG13 ' A' ' 107' ' ' VAL . 42.0 mp0 -53.93 -33.8 57.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.465 HD12 ' HA ' ' A' ' 106' ' ' VAL . 38.6 mt -59.85 -21.3 60.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.948 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 2.6 t -102.21 -16.59 7.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.156 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 72.8 mt -74.49 -43.29 56.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.921 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.526 HG22 ' N ' ' A' ' 113' ' ' PRO . 3.3 mt -52.24 -58.45 11.49 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.582 0.706 . . . . 0.0 111.136 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.526 ' N ' HG22 ' A' ' 112' ' ' ILE . 53.6 Cg_endo -69.76 -18.05 37.23 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.631 2.221 . . . . 0.0 112.346 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 13.5 tp -69.13 -45.54 69.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.503 ' HD2' ' CD2' ' A' ' 23' ' ' TRP . 37.8 ttt-85 -79.85 -44.8 19.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.402 ' CG ' ' N ' ' A' ' 117' ' ' ARG . 5.4 pt20 -47.0 -42.39 17.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.402 ' N ' ' CG ' ' A' ' 116' ' ' GLN . 15.7 mmm180 -69.07 -54.83 13.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 84.4 mt -41.16 -54.53 2.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.866 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -44.98 -40.73 6.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -53.36 -44.58 68.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.871 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 47.3 mtp85 -76.0 -52.9 9.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.849 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 6.0 tp60 -46.72 -55.75 7.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 22.6 ptt85 -77.79 165.4 24.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 14.0 mmm180 -144.58 153.96 42.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 38.5 mtp180 -85.02 174.27 9.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 4.0 mppt? -84.27 138.77 32.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.925 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 179.99 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.9 m -125.31 42.21 3.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.907 0.384 . . . . 0.0 110.87 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.3 t -46.04 140.95 3.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.813 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -104.44 152.09 17.5 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.516 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.2 p -108.91 110.46 21.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.865 0.364 . . . . 0.0 110.882 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 t -81.29 166.4 20.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.834 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.32 113.85 0.31 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.508 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -161.14 169.82 21.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.762 0.315 . . . . 0.0 110.869 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -97.11 84.65 3.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.138 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.0 m -112.34 153.74 26.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.9 p -59.08 146.61 37.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.892 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 86.8 t -47.2 138.77 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.13 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.596 ' OD1' ' HB2' ' A' ' 16' ' ' ALA . 0.6 OUTLIER -124.58 176.82 6.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.831 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -62.58 -29.72 70.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.908 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -77.13 -41.62 41.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.936 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.596 ' HB2' ' OD1' ' A' ' 13' ' ' ASP . . . -43.4 -44.31 5.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.111 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 22.9 mt -67.48 -51.0 56.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.951 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.414 ' O ' ' C ' ' A' ' 19' ' ' GLN . 20.4 t-80 -43.4 -56.63 3.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.814 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.768 ' HA ' HD12 ' A' ' 22' ' ' LEU . 20.6 mm-40 -36.29 -46.99 0.56 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.961 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.7 tp -65.09 -46.12 82.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.928 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.428 ' CE2' HD13 ' A' ' 36' ' ' LEU . 17.6 m-85 -50.33 -44.34 54.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.768 HD12 ' HA ' ' A' ' 19' ' ' GLN . 10.5 mt -46.68 -48.4 20.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.913 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.488 ' CE2' ' HD3' ' A' ' 115' ' ' ARG . 10.6 t90 -47.21 -47.31 24.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.619 HG12 ' NH1' ' A' ' 31' ' ' ARG . 60.4 t -58.92 -40.18 79.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.099 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -56.93 -46.9 81.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -45.11 -33.61 2.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.489 ' CG2' ' HG ' ' A' ' 29' ' ' LEU . 6.1 mt -85.37 136.28 37.84 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.603 0.716 . . . . 0.0 111.133 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.489 ' O ' ' C ' ' A' ' 29' ' ' LEU . 53.7 Cg_endo -69.74 8.12 0.84 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.643 2.229 . . . . 0.0 112.377 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.935 HD11 HG22 ' A' ' 49' ' ' VAL . 64.9 mt -30.32 133.72 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 35.1 t -78.22 48.77 0.77 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.845 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.619 ' NH1' HG12 ' A' ' 24' ' ' VAL . 53.8 mtm-85 -62.62 144.44 95.99 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.608 0.718 . . . . 0.0 110.864 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -167.93 0.25 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.684 2.256 . . . . 0.0 112.334 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 68.1 mmtt -103.67 -34.35 8.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 21.5 mmm180 -54.87 174.52 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.864 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.414 ' O ' ' CG ' ' A' ' 39' ' ' ASP . 15.0 t-20 -44.19 145.57 0.76 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.428 HD13 ' CE2' ' A' ' 21' ' ' TYR . 7.4 mt -77.15 -48.56 17.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.2 t -42.59 -48.34 5.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 21.6 mtp180 -64.94 -44.98 87.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.861 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.414 ' CG ' ' O ' ' A' ' 35' ' ' ASN . 5.0 m-20 -56.82 -60.82 3.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.438 ' O ' ' C ' ' A' ' 41' ' ' SER . 18.2 m-85 -59.93 -49.35 78.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 40' ' ' PHE . 40.3 t -35.14 -39.15 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.84 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -54.34 -55.95 23.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.864 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 111.66 -45.08 1.37 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.507 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 74.7 t -45.71 -36.91 2.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.891 0.377 . . . . 0.0 111.138 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 22.2 tp -62.01 -51.2 69.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.968 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 91.2 t -39.73 -50.3 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.09 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -45.8 -47.53 15.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.106 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -49.06 -48.68 43.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.935 HG22 HD11 ' A' ' 29' ' ' LEU . 92.9 t -46.82 -53.22 3.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.177 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.447 ' O ' ' C ' ' A' ' 51' ' ' LYS . 77.0 mt -51.25 -46.55 33.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.156 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 50' ' ' ILE . 13.5 tptm -34.55 -58.56 0.49 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -40.94 -47.77 3.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -75.09 -52.74 10.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -138.84 112.75 8.3 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.634 0.73 . . . . 0.0 110.891 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.71 -43.99 2.38 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.674 2.249 . . . . 0.0 112.333 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.408 ' HG3' ' N ' ' A' ' 57' ' ' MET . 15.8 ptpt -59.95 -42.24 93.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.408 ' N ' ' HG3' ' A' ' 56' ' ' LYS . 48.1 mmm -49.63 -53.31 24.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.903 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 51.6 t -74.73 134.28 29.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.138 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -95.46 -58.0 2.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 3.7 mmt 59.55 45.98 12.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 8.7 m170 -131.68 -37.68 1.18 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.834 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -94.99 -45.98 7.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -58.89 147.59 33.35 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.649 HG13 ' HD2' ' A' ' 65' ' ' PRO . 85.2 t -155.83 138.67 10.59 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.604 0.716 . . . . 0.0 111.111 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.649 ' HD2' HG13 ' A' ' 64' ' ' VAL . 54.1 Cg_endo -69.78 127.62 14.83 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.647 2.231 . . . . 0.0 112.346 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -139.57 160.31 40.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.118 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 26.5 m120 -88.21 -55.01 3.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 41.7 t -43.04 160.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.826 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' A' ' 70' ' ' GLN . 12.2 mt -82.46 -44.78 15.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.913 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 69' ' ' LEU . 3.9 tm0? -38.02 -45.57 0.91 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.43 ' O ' ' C ' ' A' ' 72' ' ' LYS . 60.6 tp60 -68.26 -49.48 60.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.906 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 71' ' ' GLN . 17.1 mmtp -36.2 -56.42 0.76 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 77.7 mt -70.81 -35.75 72.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.935 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 39.4 t -51.1 -56.78 10.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -61.07 -61.92 2.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.885 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 37.1 m95 -41.3 -50.84 3.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.945 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -49.7 -48.17 36.71 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.492 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.463 ' O ' ' CG ' ' A' ' 82' ' ' LYS . 6.8 m-70 -64.94 -31.08 72.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.84 0.352 . . . . 0.0 110.862 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.8 tp -71.43 -12.75 61.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.595 ' HA ' HD12 ' A' ' 84' ' ' LEU . 40.6 t-20 -79.6 -32.63 41.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 39.1 mtm180 -109.7 1.7 19.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.463 ' CG ' ' O ' ' A' ' 78' ' ' HIS . 27.4 mmtt -111.64 -30.23 7.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.425 ' O ' ' C ' ' A' ' 84' ' ' LEU . 93.6 t -121.38 -71.42 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.171 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.595 HD12 ' HA ' ' A' ' 80' ' ' ASN . 65.6 mt -35.89 -60.33 0.54 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.94 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 12.5 tptm -46.39 -45.44 17.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 20.6 mmt180 -61.55 -36.85 81.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 15.3 mt -94.04 33.16 1.37 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.927 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 44.5 t30 43.16 29.49 0.21 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.923 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -108.31 157.17 18.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.856 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 59.5 p -155.15 142.22 19.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.839 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.54 HG13 ' HD2' ' A' ' 92' ' ' PRO . 72.2 t -145.31 135.33 11.77 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.661 0.743 . . . . 0.0 111.101 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.54 ' HD2' HG13 ' A' ' 91' ' ' VAL . 53.9 Cg_endo -69.71 167.01 25.62 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.678 2.252 . . . . 0.0 112.336 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -66.68 -34.61 78.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -54.95 -47.62 74.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.834 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.47 ' HB ' ' CG1' ' A' ' 91' ' ' VAL . 22.8 t -59.41 -47.62 90.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.157 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.422 ' CE ' HD22 ' A' ' 80' ' ' ASN . 7.7 mtt -57.37 -52.55 64.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.892 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 18.0 mtm-85 -39.48 -46.51 1.71 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.83 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.573 ' CB ' HG11 ' A' ' 106' ' ' VAL . 33.1 mttp -61.0 -54.47 44.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.846 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 82.2 mt -49.16 -62.94 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.131 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.425 ' HB1' ' HB3' ' A' ' 72' ' ' LYS . . . -52.31 -24.94 8.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.055 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.434 ' O ' ' C ' ' A' ' 102' ' ' CYS . 28.2 mm-40 -92.44 31.66 1.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . 0.434 ' C ' ' O ' ' A' ' 101' ' ' GLN . 4.8 t 35.79 44.49 0.23 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.579 ' HB3' HG21 ' A' ' 106' ' ' VAL . . . -76.67 143.05 71.05 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.541 0.686 . . . . 0.0 111.115 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.862 ' O ' HG23 ' A' ' 106' ' ' VAL . 53.7 Cg_endo -69.77 152.28 69.21 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.707 2.272 . . . . 0.0 112.306 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 104' ' ' PRO . . . 35.56 59.3 0.85 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.481 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.862 HG23 ' O ' ' A' ' 104' ' ' PRO . 91.5 t -131.01 -61.71 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.866 0.365 . . . . 0.0 111.126 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 12.0 p -60.75 -38.13 77.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.121 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 31.4 mp0 -58.26 -38.98 78.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 56.6 mt -53.33 -16.82 1.48 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.9 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 48.4 t -104.77 -28.04 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.142 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 94.3 mt -67.56 -42.83 81.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.945 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.52 ' N ' ' HD2' ' A' ' 113' ' ' PRO . 3.1 mt -48.96 -58.41 8.7 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.646 0.736 . . . . 0.0 111.129 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.52 ' HD2' ' N ' ' A' ' 112' ' ' ILE . 54.3 Cg_endo -69.72 -33.35 16.94 Favored 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.692 2.262 . . . . 0.0 112.361 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 16.8 tp -41.87 -45.63 3.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.956 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.488 ' HD3' ' CE2' ' A' ' 23' ' ' TRP . 13.1 mtm180 -67.41 -58.43 4.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.866 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 115' ' ' ARG . 10.2 mt-30 -34.4 -38.92 0.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.918 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -78.38 -52.04 9.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 83.5 mt -51.68 -46.96 64.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.933 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -58.34 -42.19 86.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -51.32 -55.17 19.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 29.8 mtt85 -67.24 -51.37 53.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -46.43 -69.85 0.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -50.55 166.4 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 60.0 mtt180 -142.16 124.95 15.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 14.4 tpt180 -95.79 124.71 39.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 127' ' ' GLN . 8.5 mtpt -87.93 171.36 10.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' A' ' 126' ' ' LYS . 38.2 mt-30 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.946 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t -174.05 167.06 4.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.907 0.384 . . . . 0.0 110.837 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.5 t -130.99 123.79 29.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.862 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.6 44.75 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.479 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.3 t -104.27 138.94 39.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.914 0.388 . . . . 0.0 110.841 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.0 p -80.92 -47.18 14.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.861 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.05 91.71 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.483 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.9 ttt -155.71 154.07 30.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.768 0.318 . . . . 0.0 110.837 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.73 119.82 12.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.075 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.6 m -141.99 167.42 22.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 76.1 p -66.67 151.27 47.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.831 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 94.6 t -48.24 136.35 4.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.153 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -94.81 174.31 7.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.479 ' HA ' HD12 ' A' ' 17' ' ' LEU . 12.6 pt-20 -62.87 -45.63 91.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.401 ' HG3' ' N ' ' A' ' 16' ' ' ALA . 17.9 pt-20 -55.16 -47.08 75.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.401 ' N ' ' HG3' ' A' ' 15' ' ' GLU . . . -47.84 -43.61 28.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.095 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.479 HD12 ' HA ' ' A' ' 14' ' ' GLU . 13.2 mt -61.1 -40.92 95.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.953 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -44.55 -47.61 10.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.841 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 80.1 mm-40 -49.27 -42.41 40.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.46 HD21 ' HG3' ' A' ' 108' ' ' GLU . 6.5 tp -67.43 -30.96 70.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -70.4 -25.55 63.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.933 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 70.0 mt -81.21 -46.37 14.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.925 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.731 ' CZ2' HD11 ' A' ' 27' ' ' ILE . 27.7 t90 -47.76 -44.22 27.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.415 HG11 HD13 ' A' ' 36' ' ' LEU . 47.7 t -58.32 -26.9 31.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.071 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -71.92 -46.97 55.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.489 ' OD1' ' N ' ' A' ' 27' ' ' ILE . 0.6 OUTLIER -52.67 -43.58 65.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 -179.923 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.731 HD11 ' CZ2' ' A' ' 23' ' ' TRP . 88.4 mt -52.41 126.57 38.29 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.632 0.729 . . . . 0.0 111.074 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 101.43 0.91 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.646 2.231 . . . . 0.0 112.363 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 15.0 mt -122.56 140.68 52.51 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.929 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 69.4 m -84.2 65.8 8.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -167.73 148.57 4.79 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.642 0.734 . . . . 0.0 110.839 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -166.34 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.682 2.255 . . . . 0.0 112.302 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.2 mptt -92.45 113.97 26.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.465 ' O ' ' N ' ' A' ' 36' ' ' LEU . 77.9 mtp180 -146.54 150.69 36.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.832 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -42.34 93.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.93 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.748 ' H ' HD23 ' A' ' 36' ' ' LEU . 1.0 OUTLIER -68.11 -27.96 66.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.923 179.934 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 37.9 t -48.15 -44.69 32.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 37.3 ttt180 -85.72 -51.92 6.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.831 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -45.05 -53.75 7.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.836 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.583 ' CE1' ' HB2' ' A' ' 36' ' ' LEU . 6.1 m-85 -47.24 -44.14 22.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 40' ' ' PHE . 7.3 p -37.73 -33.25 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.879 -179.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -56.26 -51.3 68.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 105.57 -42.36 1.92 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.489 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 69.9 t -55.74 -35.87 41.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.866 0.365 . . . . 0.0 111.131 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.0 tp -64.01 -50.27 69.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.966 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 85.9 t -49.7 -44.37 19.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.147 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -53.6 -37.56 63.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.085 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -66.14 -39.02 89.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.656 HG13 HD13 ' A' ' 27' ' ' ILE . 57.3 t -57.2 -39.8 69.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.145 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 46.9 mt -64.81 -34.21 68.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.147 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.426 ' N ' HG21 ' A' ' 58' ' ' VAL . 27.1 tptt -43.02 -54.26 4.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -44.04 -55.84 4.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.457 ' CD2' ' HB3' ' A' ' 118' ' ' LEU . 59.8 m-85 -64.87 -56.46 13.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 -139.95 108.87 7.02 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.656 0.741 . . . . 0.0 110.873 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -31.79 19.68 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.714 2.276 . . . . 0.0 112.323 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 14.8 pttp -69.22 -44.24 72.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.926 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 19.0 mmm -56.38 -29.43 61.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.426 HG21 ' N ' ' A' ' 51' ' ' LYS . 90.6 t -84.26 128.29 39.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.124 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -123.66 84.04 2.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 6.9 mmt -83.09 56.44 3.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 8.2 m170 -130.53 -33.57 1.64 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -93.64 -47.99 6.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -63.91 125.17 23.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.94 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.631 HG13 ' HD2' ' A' ' 65' ' ' PRO . 89.3 t -121.3 137.56 26.98 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.629 0.728 . . . . 0.0 111.135 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.631 ' HD2' HG13 ' A' ' 64' ' ' VAL . 53.4 Cg_endo -69.75 107.17 1.8 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.652 2.235 . . . . 0.0 112.357 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.414 ' O ' ' NZ ' ' A' ' 72' ' ' LYS . . . -109.53 176.52 5.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.092 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 57.0 m-20 -117.3 -39.27 3.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.0 m -59.17 171.79 0.69 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.403 ' CD1' ' C ' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -82.0 -58.05 3.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.939 179.947 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 69' ' ' LEU . 13.6 pt20 -38.07 -47.3 1.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.966 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -54.69 -47.5 73.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.414 ' NZ ' ' O ' ' A' ' 66' ' ' ALA . 0.0 OUTLIER -49.44 -64.37 0.83 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.901 179.939 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.749 HD21 ' HA ' ' A' ' 97' ' ' ARG . 22.9 mt -50.71 -46.33 58.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.897 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 6.2 t -55.56 -47.65 76.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.85 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 17.9 m-20 -61.03 -59.32 5.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.49 ' CZ2' HG21 ' A' ' 99' ' ' ILE . 34.9 m95 -48.98 -51.56 29.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -38.36 -50.94 2.31 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.479 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 17.7 m80 -62.64 -54.49 38.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.862 0.363 . . . . 0.0 110.891 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.0 tp -46.14 -22.49 0.23 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.936 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.707 ' HA ' HD12 ' A' ' 84' ' ' LEU . 37.9 t-20 -77.83 -38.63 45.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 19.2 mmm180 -103.32 4.65 36.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 13.8 mmtm -115.16 -31.88 5.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.417 ' O ' ' C ' ' A' ' 84' ' ' LEU . 78.6 t -117.16 -74.44 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.122 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.707 HD12 ' HA ' ' A' ' 80' ' ' ASN . 73.7 mt -36.52 -58.31 0.72 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 19.6 ttpp -38.48 -53.15 1.57 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 29.8 mmt180 -57.36 -38.45 74.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.81 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 84' ' ' LEU . 18.3 mt -84.62 29.43 0.61 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.927 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 60.6 t30 42.72 34.84 0.62 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -111.84 144.11 41.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 57.7 m -134.36 147.51 50.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.673 HG13 ' HD2' ' A' ' 92' ' ' PRO . 97.7 t -147.83 138.89 13.34 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.581 0.705 . . . . 0.0 111.158 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.673 ' HD2' HG13 ' A' ' 91' ' ' VAL . 53.5 Cg_endo -69.8 163.0 39.94 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.702 2.268 . . . . 0.0 112.319 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -73.31 -20.32 60.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -72.43 -49.19 35.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.905 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 16.4 t -60.64 -32.98 53.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.147 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 11.6 mtm -63.28 -44.59 94.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.871 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.749 ' HA ' HD21 ' A' ' 73' ' ' LEU . 41.1 mtt180 -49.9 -52.3 34.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.84 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.441 ' HB2' HG11 ' A' ' 106' ' ' VAL . 30.2 mttm -53.1 -58.36 7.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.88 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.49 HG21 ' CZ2' ' A' ' 76' ' ' TRP . 83.4 mt -44.37 -56.07 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.078 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -61.57 -23.64 66.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.113 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 9.9 mm-40 -83.96 16.48 2.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.935 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 63.0 m 51.17 54.38 11.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -96.26 121.4 60.51 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.625 0.726 . . . . 0.0 111.095 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.71 128.83 16.64 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.7 2.267 . . . . 0.0 112.372 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 101.17 -51.28 0.96 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.464 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.441 HG11 ' HB2' ' A' ' 98' ' ' LYS . 40.3 t -47.23 -72.19 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.867 0.365 . . . . 0.0 111.118 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 6.0 p -49.92 -34.01 9.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.101 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.479 ' OE1' HD12 ' A' ' 111' ' ' LEU . 2.3 tp10 -56.41 -44.35 80.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.912 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 34.7 mt -57.54 -19.35 24.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 2.1 t -94.94 -18.62 6.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.172 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.479 HD12 ' OE1' ' A' ' 108' ' ' GLU . 90.5 mt -80.49 -29.65 37.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.532 ' N ' ' HD2' ' A' ' 113' ' ' PRO . 3.8 mt -62.72 -57.99 19.08 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.628 0.728 . . . . 0.0 111.145 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.532 ' HD2' ' N ' ' A' ' 112' ' ' ILE . 54.0 Cg_endo -69.81 -35.43 12.51 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.661 2.241 . . . . 0.0 112.343 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 13.5 tp -50.43 -60.35 3.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.919 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.421 ' HG3' ' N ' ' A' ' 116' ' ' GLN . 46.6 ptt85 -55.19 -41.6 72.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.421 ' N ' ' HG3' ' A' ' 115' ' ' ARG . 40.0 mt-30 -53.8 -34.59 59.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.922 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -76.03 -40.38 53.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.839 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.457 ' HB3' ' CD2' ' A' ' 53' ' ' TYR . 68.5 mt -66.27 -34.36 77.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -66.47 -27.82 68.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -93.65 -17.2 23.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.845 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 4.9 mmm180 -85.28 -37.64 19.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.875 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.432 ' O ' ' C ' ' A' ' 123' ' ' ARG . 4.9 pt20 -40.58 -32.73 0.22 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 122' ' ' GLN . 14.0 ptt180 -35.61 -41.39 0.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 12.1 mmm-85 -65.67 100.52 0.53 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.863 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 31.1 mmt180 -85.73 112.29 20.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 21.0 mmtp -123.16 161.93 23.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.881 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.941 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.438 -0.265 . . . . 0.0 112.438 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.7 t -72.39 158.56 35.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.882 0.372 . . . . 0.0 110.876 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.5 p -170.84 127.95 0.75 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.844 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.03 175.91 41.49 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.518 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.2 t -115.92 152.88 32.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.844 0.354 . . . . 0.0 110.841 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.9 m -157.98 120.85 3.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.845 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.45 68.45 0.45 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.515 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.6 ttt -134.15 142.69 47.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.817 0.341 . . . . 0.0 110.883 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.32 93.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.092 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 58.1 m -157.63 172.96 17.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 53.0 p -52.79 170.04 0.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 85.0 t -45.92 132.03 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.108 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -91.51 157.76 16.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.842 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -55.65 -35.86 66.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.444 ' HG3' ' N ' ' A' ' 16' ' ' ALA . 12.1 pt-20 -59.99 -43.23 95.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.444 ' N ' ' HG3' ' A' ' 15' ' ' GLU . . . -55.02 -46.34 75.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.103 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.563 HD22 ' OE1' ' A' ' 108' ' ' GLU . 59.5 mt -52.04 -47.85 64.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 9.8 t60 -50.15 -49.79 51.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 71.3 mm-40 -48.95 -34.15 12.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.0 tp -76.74 -28.27 55.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -72.64 -24.35 61.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.955 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 34.5 mt -80.9 -49.25 11.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.937 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.476 ' CH2' HG11 ' A' ' 49' ' ' VAL . 12.7 t90 -42.47 -34.89 0.91 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.952 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 74.4 t -67.25 -43.54 88.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.133 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -52.62 -51.22 60.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 31.3 t30 -43.71 -51.83 6.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.516 HG23 ' HD2' ' A' ' 28' ' ' PRO . 65.7 mt -68.52 134.89 90.66 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.573 0.701 . . . . 0.0 111.173 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.516 ' HD2' HG23 ' A' ' 27' ' ' ILE . 53.9 Cg_endo -69.75 102.72 1.06 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.729 2.286 . . . . 0.0 112.335 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.43 HD11 HG22 ' A' ' 49' ' ' VAL . 22.3 mt -130.57 66.88 1.5 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.469 ' O ' ' C ' ' A' ' 31' ' ' ARG . 4.1 t -37.96 -56.69 1.11 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.844 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.469 ' C ' ' O ' ' A' ' 30' ' ' SER . 0.8 OUTLIER -32.78 96.14 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.551 0.691 . . . . 0.0 110.893 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.432 ' N ' ' O ' ' A' ' 30' ' ' SER . 53.8 Cg_endo -69.74 174.29 9.7 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.658 2.239 . . . . 0.0 112.32 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.46 ' N ' ' HD3' ' A' ' 33' ' ' LYS . 0.9 OUTLIER -166.62 142.04 4.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 179.904 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 20.5 ttt85 -57.4 -44.41 84.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.839 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.46 ' HB3' ' CB ' ' A' ' 38' ' ' ARG . 4.2 t-20 -131.84 176.62 8.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -86.87 -54.68 4.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.941 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.2 t -73.16 -35.92 66.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.46 ' CB ' ' HB3' ' A' ' 35' ' ' ASN . 17.9 ttt85 -46.26 -39.58 10.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.912 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 40' ' ' PHE . 0.5 OUTLIER -93.78 -63.86 1.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 179.948 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.441 ' O ' ' C ' ' A' ' 41' ' ' SER . 8.2 m-85 -37.72 -41.14 0.47 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.46 ' CB ' ' SG ' ' A' ' 102' ' ' CYS . 77.9 p -34.76 -45.66 0.26 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.866 -179.814 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -79.81 154.69 28.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -84.61 38.17 2.92 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.503 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 58.9 t -115.14 -41.81 3.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.892 0.377 . . . . 0.0 111.143 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.403 ' O ' HD13 ' A' ' 45' ' ' LEU . 0.1 OUTLIER -69.2 -47.65 64.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.923 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 57.5 t -50.57 -52.56 15.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.139 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -38.97 -58.16 1.15 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.073 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -42.02 -51.26 4.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.476 HG11 ' CH2' ' A' ' 23' ' ' TRP . 97.6 t -46.65 -38.96 3.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.142 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.498 HG12 HD11 ' A' ' 118' ' ' LEU . 16.5 mt -77.04 -44.05 31.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 50' ' ' ILE . 11.2 tptm -36.54 -40.81 0.27 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 27.9 t80 -52.78 -55.55 22.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -75.22 -48.06 25.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.412 ' HA ' ' HD2' ' A' ' 55' ' ' PRO . 46.3 m-85 -129.91 95.23 29.24 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.603 0.716 . . . . 0.0 110.829 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 54' ' ' PHE . 53.8 Cg_endo -69.72 -33.04 17.54 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.668 2.245 . . . . 0.0 112.361 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.9 mmmt -71.57 -50.92 26.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 25.3 mmm -43.99 -42.19 5.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.899 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 58.1 t -80.7 123.94 37.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.128 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.9 mp0 -114.32 85.78 2.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.402 ' O ' ' N ' ' A' ' 62' ' ' ASN . 6.1 mmt -61.38 -46.37 90.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.848 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 35.0 t60 -38.76 -31.14 0.05 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.851 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.402 ' N ' ' O ' ' A' ' 60' ' ' MET . 35.4 m-20 -91.43 -46.46 7.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -79.75 129.61 34.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.96 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.664 HG13 ' HD2' ' A' ' 65' ' ' PRO . 90.8 t -135.11 138.79 30.08 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.622 0.725 . . . . 0.0 111.115 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.664 ' HD2' HG13 ' A' ' 64' ' ' VAL . 53.9 Cg_endo -69.77 104.19 1.28 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.697 2.265 . . . . 0.0 112.345 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -97.72 169.45 9.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.123 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -121.65 45.77 2.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.878 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 90.9 p -157.15 120.57 4.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.435 ' O ' ' C ' ' A' ' 70' ' ' GLN . 0.7 OUTLIER -39.33 -60.93 0.85 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.91 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 69' ' ' LEU . 9.9 mm100 -35.44 -47.73 0.45 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.412 ' O ' ' C ' ' A' ' 72' ' ' LYS . 8.1 tm0? -65.62 -49.97 66.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 71' ' ' GLN . 5.7 mmpt? -36.89 -66.59 0.22 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 56.6 mt -48.69 -50.76 31.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.9 t -40.8 -46.05 2.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 35.8 m-20 -68.12 -55.3 12.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.523 ' CZ2' HG21 ' A' ' 99' ' ' ILE . 44.0 m95 -42.12 -49.22 4.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.931 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -48.64 -44.45 29.84 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.508 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 12.2 m170 -67.55 -33.62 75.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.86 0.362 . . . . 0.0 110.918 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 5.3 tp -72.99 -10.11 59.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.911 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.619 ' HA ' HD12 ' A' ' 84' ' ' LEU . 35.0 t-20 -88.2 -28.86 20.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 70.2 mtt180 -109.37 0.02 19.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 30.0 mmtt -110.65 -36.31 5.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.578 HG12 HD12 ' A' ' 87' ' ' LEU . 85.3 t -110.71 -69.95 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.138 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.619 HD12 ' HA ' ' A' ' 80' ' ' ASN . 82.8 mt -41.59 -61.7 1.02 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 14.7 tptp -41.91 -50.55 4.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -62.57 -31.33 72.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.87 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.578 HD12 HG12 ' A' ' 83' ' ' VAL . 13.1 mt -96.44 29.18 2.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 42.33 34.12 0.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -109.22 140.89 42.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 53.3 m -132.57 132.3 42.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 10.5 t -129.83 131.22 23.38 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.672 0.748 . . . . 0.0 111.094 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.483 ' HG2' ' CG2' ' A' ' 95' ' ' VAL . 53.9 Cg_endo -69.7 148.01 64.48 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.669 2.246 . . . . 0.0 112.381 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -61.49 -34.06 74.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.834 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -58.66 -37.14 75.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.825 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.483 ' CG2' ' HG2' ' A' ' 92' ' ' PRO . 18.6 t -72.72 -42.91 61.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.141 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 5.4 mtm -58.04 -45.75 86.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 26.7 mtt-85 -47.73 -41.0 21.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.694 ' HB2' HG11 ' A' ' 106' ' ' VAL . 22.7 mtpt -72.71 -45.77 57.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.948 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.536 HG13 HG12 ' A' ' 106' ' ' VAL . 60.7 mt -51.58 -46.22 36.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.124 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.74 -22.91 65.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.094 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -81.46 1.2 34.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . 0.46 ' SG ' ' CB ' ' A' ' 41' ' ' SER . 12.7 m 61.76 48.54 5.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -87.76 139.25 31.2 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.594 0.711 . . . . 0.0 111.124 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 124.05 10.68 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.645 2.23 . . . . 0.0 112.348 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.427 ' O ' ' C ' ' A' ' 106' ' ' VAL . . . 100.76 -60.47 0.64 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.478 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.694 HG11 ' HB2' ' A' ' 98' ' ' LYS . 44.1 t -33.72 -73.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.896 0.379 . . . . 0.0 111.118 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.59 HG13 ' N ' ' A' ' 108' ' ' GLU . 10.8 p -44.7 -49.75 2.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.161 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.59 ' N ' HG13 ' A' ' 107' ' ' VAL . 26.7 mt-10 -52.53 -45.96 66.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.919 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 18.6 mt -53.64 -16.95 1.82 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 82.5 t -105.57 -19.64 6.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.102 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 46.9 mt -82.7 -40.72 20.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.53 ' N ' ' HD2' ' A' ' 113' ' ' PRO . 3.8 mt -50.14 -57.95 11.14 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.639 0.733 . . . . 0.0 111.166 179.806 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.53 ' HD2' ' N ' ' A' ' 112' ' ' ILE . 54.1 Cg_endo -69.73 -22.44 32.21 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.724 2.282 . . . . 0.0 112.353 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 22.3 tp -55.69 -60.47 3.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.46 ' HD2' ' N ' ' A' ' 116' ' ' GLN . 6.1 ppt_? -59.3 -39.95 84.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.46 ' N ' ' HD2' ' A' ' 115' ' ' ARG . 10.9 mt-30 -51.58 -18.95 1.29 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.947 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 23.2 mmm180 -96.9 -49.59 4.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.901 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.498 HD11 HG12 ' A' ' 50' ' ' ILE . 66.9 mt -59.19 -40.68 86.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -68.97 -22.48 64.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.498 ' OE1' ' N ' ' A' ' 120' ' ' GLU . 0.0 OUTLIER -83.29 -40.84 19.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.858 -179.914 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 20.9 mtp85 -72.55 -44.35 62.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -40.52 -53.22 2.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -78.29 -42.98 29.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.903 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 20.1 mtt-85 -63.14 120.47 11.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 24.4 mmt180 -98.56 -28.41 13.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 1.2 mppt? -94.2 131.77 39.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 179.972 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.5 p -107.37 160.93 15.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.925 0.393 . . . . 0.0 110.832 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 m -159.22 165.25 34.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.877 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.86 116.05 0.35 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.472 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 m -77.4 -51.26 11.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.876 0.369 . . . . 0.0 110.853 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.0 m -54.71 102.89 0.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.847 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.43 94.57 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.471 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.9 ttt -146.39 121.3 9.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.813 0.34 . . . . 0.0 110.841 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -123.19 173.57 7.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.107 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 58.0 m -76.56 -56.91 4.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.865 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 49.0 m -87.51 175.21 8.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.886 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.638 HG12 ' O ' ' A' ' 12' ' ' VAL . 25.7 t -84.98 36.78 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.086 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -45.98 172.5 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -49.8 -31.59 12.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.884 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -64.4 -45.83 85.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.09 -42.02 97.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.091 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 21.4 mt -63.39 -48.59 77.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.616 ' CE1' HD21 ' A' ' 22' ' ' LEU . 2.3 t-160 -41.46 -59.45 1.58 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.809 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' A' ' 18' ' ' HIS . 57.0 mm-40 -35.27 -41.68 0.17 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.7 tp -73.77 -43.35 59.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.481 ' N ' ' O ' ' A' ' 18' ' ' HIS . 16.5 m-85 -61.94 -53.53 54.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.928 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.616 HD21 ' CE1' ' A' ' 18' ' ' HIS . 70.7 mt -48.08 -52.2 21.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.905 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.525 ' CD2' ' HD2' ' A' ' 115' ' ' ARG . 4.8 t90 -43.35 -56.34 3.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 94.5 t -50.88 -61.01 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.112 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -45.68 -51.42 12.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -45.44 -29.84 1.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.532 ' CD1' HG13 ' A' ' 49' ' ' VAL . 28.0 mt -67.92 137.1 92.24 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.632 0.729 . . . . 0.0 111.084 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.509 ' O ' ' C ' ' A' ' 29' ' ' LEU . 53.9 Cg_endo -69.77 10.99 0.43 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.677 2.251 . . . . 0.0 112.343 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.509 ' C ' ' O ' ' A' ' 28' ' ' PRO . 77.7 mt -29.09 95.5 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 28' ' ' PRO . 84.1 p -71.43 75.14 0.76 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 58.5 mtp85 -153.21 152.94 28.79 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.604 0.716 . . . . 0.0 110.875 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 158.22 57.63 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.655 2.237 . . . . 0.0 112.348 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.437 ' N ' ' HD3' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -106.51 123.33 47.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.936 179.908 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 -132.24 -53.75 0.97 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.84 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -164.4 120.21 1.53 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.8 tp -68.32 -58.47 4.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 15.7 t -39.83 -31.43 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.434 ' O ' ' C ' ' A' ' 39' ' ' ASP . 21.3 tpp180 -90.76 -67.91 0.82 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 38' ' ' ARG . 88.1 m-20 -35.26 -42.17 0.19 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -80.23 -44.41 19.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.8 m -52.28 -36.0 51.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.842 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.908 ' OD1' HG23 ' A' ' 44' ' ' VAL . 5.1 t0 -67.93 -38.72 83.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.829 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 100.86 -42.05 2.02 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.516 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.908 HG23 ' OD1' ' A' ' 42' ' ' ASP . 90.9 t -44.7 -37.18 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.857 0.36 . . . . 0.0 111.112 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.5 ' O ' HD13 ' A' ' 45' ' ' LEU . 0.3 OUTLIER -71.55 -45.75 61.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.968 179.939 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 93.2 t -45.29 -41.62 2.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.113 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.522 ' HA ' HD12 ' A' ' 50' ' ' ILE . . . -55.38 -52.93 61.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.058 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -46.54 -39.59 11.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.883 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.532 HG13 ' CD1' ' A' ' 27' ' ' ILE . 62.5 t -60.15 -38.29 76.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.137 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.522 HD12 ' HA ' ' A' ' 47' ' ' ALA . 23.6 mt -66.72 -29.75 47.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.112 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.431 ' HA ' ' CG2' ' A' ' 58' ' ' VAL . 19.1 tptm -50.52 -40.34 51.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -59.04 -27.13 65.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.87 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.558 ' CD2' ' HB3' ' A' ' 118' ' ' LEU . 66.3 m-85 -96.46 -67.21 0.86 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.963 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -133.33 129.51 20.76 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.648 0.737 . . . . 0.0 110.831 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -51.06 0.41 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.718 2.279 . . . . 0.0 112.345 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.8 ptmt -57.1 -27.98 62.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 74.7 mmm -72.17 -32.55 66.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.431 ' CG2' ' HA ' ' A' ' 51' ' ' LYS . 85.1 t -55.05 -68.88 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.124 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 61.05 52.74 3.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 11.5 mmt -89.38 48.37 1.6 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.859 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 40.6 t-80 -120.46 -49.55 2.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.828 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.496 ' OD1' ' N ' ' A' ' 63' ' ' TYR . 7.3 p30 -68.23 -51.42 45.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.496 ' N ' ' OD1' ' A' ' 62' ' ' ASN . 36.4 m-85 -57.9 154.6 11.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.601 HG13 ' HD2' ' A' ' 65' ' ' PRO . 84.7 t -145.55 136.96 12.75 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.638 0.732 . . . . 0.0 111.144 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.601 ' HD2' HG13 ' A' ' 64' ' ' VAL . 54.1 Cg_endo -69.75 114.2 3.62 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.714 2.276 . . . . 0.0 112.333 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -120.77 154.15 36.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.101 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -105.45 37.51 2.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 68.8 p -132.43 129.59 39.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.827 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.503 HD13 ' O ' ' A' ' 69' ' ' LEU . 0.7 OUTLIER -49.48 -57.34 7.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.943 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -38.69 -55.57 1.44 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.427 ' O ' ' C ' ' A' ' 72' ' ' LYS . 33.1 tp60 -58.17 -52.38 65.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.892 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 71' ' ' GLN . 13.1 mmtp -36.03 -56.12 0.74 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.88 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 15.8 mt -60.32 -43.17 96.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.924 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.9 t -47.47 -60.47 2.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 11.3 m-20 -45.24 -56.18 5.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.86 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.519 ' CZ2' HG21 ' A' ' 99' ' ' ILE . 40.7 m95 -47.02 -59.45 3.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.93 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -40.4 -41.13 2.15 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.515 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 34.6 m-70 -73.88 -47.02 41.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.801 0.334 . . . . 0.0 110.838 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.3 tp -58.96 -11.39 3.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.944 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.527 ' HA ' HD12 ' A' ' 84' ' ' LEU . 52.8 t-20 -84.35 -35.87 22.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 87.8 mtm180 -107.92 0.67 22.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -109.73 -29.74 8.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.935 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 53.8 t -116.75 -74.38 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.14 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.527 HD12 ' HA ' ' A' ' 80' ' ' ASN . 77.5 mt -38.97 -51.32 1.79 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 84' ' ' LEU . 28.6 tttm -36.76 -49.97 0.81 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.933 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 23.4 mmt180 -56.05 -40.0 72.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.481 ' N ' ' O ' ' A' ' 84' ' ' LEU . 17.6 mt -85.47 27.47 0.82 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 38.6 t30 41.01 30.49 0.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.937 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -103.79 136.51 43.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.921 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 79.2 p -128.75 145.27 51.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.579 HG13 ' HD2' ' A' ' 92' ' ' PRO . 91.2 t -142.14 136.4 14.94 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.642 0.734 . . . . 0.0 111.104 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.579 ' HD2' HG13 ' A' ' 91' ' ' VAL . 53.3 Cg_endo -69.82 155.78 64.85 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.63 2.22 . . . . 0.0 112.321 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -62.17 -20.03 63.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.897 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -71.07 -43.76 67.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.535 HG23 ' HG2' ' A' ' 92' ' ' PRO . 26.0 t -64.75 -28.79 45.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.115 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 10.3 mtm -73.23 -51.03 19.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 88.4 mtt180 -45.97 -40.2 10.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.802 ' CB ' HG11 ' A' ' 106' ' ' VAL . 72.6 mttt -64.49 -56.26 15.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.519 HG21 ' CZ2' ' A' ' 76' ' ' TRP . 77.8 mt -48.59 -56.73 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.154 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -59.63 -19.41 49.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 32.3 mm-40 -90.75 24.86 2.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 79.9 m 41.52 39.47 1.09 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -82.13 126.6 74.24 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.531 0.681 . . . . 0.0 111.159 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 134.46 28.03 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.672 2.248 . . . . 0.0 112.314 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 73.33 44.33 34.82 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.5 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.802 HG11 ' CB ' ' A' ' 98' ' ' LYS . 46.1 t -134.04 -59.24 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.822 0.344 . . . . 0.0 111.087 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.44 ' HB ' HG23 ' A' ' 99' ' ' ILE . 10.1 p -61.97 -37.81 79.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.134 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.403 ' HA ' HD12 ' A' ' 111' ' ' LEU . 55.9 mp0 -58.18 -38.41 76.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 19.6 mt -57.45 -19.23 22.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 46.3 t -104.35 -16.0 7.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.121 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.403 HD12 ' HA ' ' A' ' 108' ' ' GLU . 72.6 mt -84.63 -31.77 24.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.939 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.544 ' N ' ' HD2' ' A' ' 113' ' ' PRO . 4.7 mt -59.38 -57.44 26.97 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.6 0.714 . . . . 0.0 111.074 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.544 ' HD2' ' N ' ' A' ' 112' ' ' ILE . 53.6 Cg_endo -69.73 -26.58 27.58 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.652 2.235 . . . . 0.0 112.342 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 6.8 tp -63.97 -56.13 17.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.94 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.525 ' HD2' ' CD2' ' A' ' 23' ' ' TRP . 44.9 ttt-85 -56.86 -43.69 81.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.839 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 -51.63 -43.59 62.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 60.3 mmt-85 -69.9 -45.64 67.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.558 ' HB3' ' CD2' ' A' ' 53' ' ' TYR . 25.3 mt -52.16 -50.67 61.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -57.4 -38.06 73.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -59.82 -49.86 76.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.84 -41.46 82.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -38.4 -55.26 1.39 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 6.1 ptp180 -119.18 153.36 35.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 12.9 mmm-85 -128.69 159.6 35.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 20.2 ttm180 -137.28 158.13 45.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.837 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 60.8 mttm 57.4 41.7 25.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.944 179.959 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.542 -0.223 . . . . 0.0 112.542 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.2 m -44.93 134.87 5.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.895 0.379 . . . . 0.0 110.827 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.1 t -101.07 -53.55 3.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.834 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.53 104.76 0.18 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.494 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.0 p -143.82 135.02 25.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.835 0.35 . . . . 0.0 110.877 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -173.98 126.45 0.37 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 59.05 54.37 38.56 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.517 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 20.4 mtp -138.75 148.27 43.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.827 0.346 . . . . 0.0 110.838 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.36 147.93 43.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.106 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.2 m -53.66 143.98 18.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.6 t -115.11 161.59 18.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.863 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.577 HG12 ' O ' ' A' ' 12' ' ' VAL . 16.6 t 61.85 36.0 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.189 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -51.71 175.38 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -43.39 -46.17 6.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.879 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -45.36 -43.13 10.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -48.06 -49.27 32.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.092 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.547 HD22 ' CD ' ' A' ' 108' ' ' GLU . 46.9 mt -43.72 -49.47 7.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -46.7 -53.57 11.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 74.3 mm-40 -45.29 -42.38 9.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.456 HD11 ' HB3' ' A' ' 111' ' ' LEU . 5.4 tp -67.07 -30.52 70.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -71.12 -21.57 62.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 63.5 mt -80.33 -46.14 16.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.924 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 3.8 t90 -45.67 -60.91 1.94 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.602 HG13 HD12 ' A' ' 29' ' ' LEU . 74.2 t -46.55 -42.5 5.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.144 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -43.38 -46.28 6.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 23.1 t30 -53.27 -52.89 57.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 27.5 mt -74.61 124.76 89.94 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.604 0.716 . . . . 0.0 111.149 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 93.04 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.704 2.27 . . . . 0.0 112.283 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.602 HD12 HG13 ' A' ' 24' ' ' VAL . 13.2 mt -104.33 77.94 1.45 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 31' ' ' ARG . 29.7 t -81.74 -36.19 28.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.496 ' N ' ' HD2' ' A' ' 32' ' ' PRO . 11.6 ttm-85 -36.05 -59.76 0.76 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.594 0.711 . . . . 0.0 110.878 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.499 ' O ' ' C ' ' A' ' 33' ' ' LYS . 54.0 Cg_endo -69.78 -30.09 22.75 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.66 2.24 . . . . 0.0 112.372 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.499 ' C ' ' O ' ' A' ' 32' ' ' PRO . 0.0 OUTLIER 30.4 39.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.89 179.914 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.491 ' N ' ' O ' ' A' ' 32' ' ' PRO . 1.1 tpt180 -153.32 165.2 36.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.897 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.464 ' C ' ' O ' ' A' ' 34' ' ' ARG . 25.7 m120 -32.94 141.16 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.796 HD12 ' H ' ' A' ' 36' ' ' LEU . 2.7 mp -68.25 -49.1 62.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 20.9 t -49.31 -63.24 1.16 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.829 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.411 ' O ' ' CB ' ' A' ' 41' ' ' SER . 64.5 mtt180 -50.55 -68.42 0.17 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.834 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.498 ' O ' ' N ' ' A' ' 41' ' ' SER . 57.2 m-20 -42.91 -61.03 1.39 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.827 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.468 ' CE2' ' HB3' ' A' ' 36' ' ' LEU . 3.3 m-85 -35.24 -31.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' ' 39' ' ' ASP . 30.0 t -42.73 -48.01 5.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.53 132.91 38.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.869 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -72.89 -36.31 57.64 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.493 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 47.5 t -46.54 -42.44 5.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.844 0.354 . . . . 0.0 111.117 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.592 HD11 HD22 ' A' ' 29' ' ' LEU . 32.4 tp -64.5 -56.1 16.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.931 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 58.2 t -39.35 -41.11 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.15 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -49.38 -44.9 45.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.108 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -58.04 -38.15 75.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 95.5 t -55.99 -32.8 34.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.116 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 34.3 mt -75.47 -34.68 30.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.094 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 17.2 tptp -43.78 -45.35 7.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -53.58 -40.53 65.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.58 ' CD1' HD13 ' A' ' 118' ' ' LEU . 83.5 m-85 -81.68 -62.25 1.7 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.883 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.406 ' CZ ' ' HB3' ' A' ' 121' ' ' ARG . 27.9 m-85 -133.12 122.54 17.39 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.638 0.733 . . . . 0.0 110.847 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -50.96 0.42 Allowed 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.695 2.263 . . . . 0.0 112.327 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 57' ' ' MET . 29.6 mttm -53.88 -56.6 16.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.925 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.408 ' C ' ' O ' ' A' ' 56' ' ' LYS . 33.5 mmm -36.74 -36.85 0.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 43.6 t -81.47 132.37 31.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.108 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -133.24 99.39 4.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 8.5 mmt -95.18 55.6 1.8 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 8.7 m80 -128.68 -30.5 2.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.408 ' OD1' ' CD1' ' A' ' 63' ' ' TYR . 5.0 p30 -94.49 -57.75 2.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.408 ' CD1' ' OD1' ' A' ' 62' ' ' ASN . 24.5 m-85 -56.26 155.28 6.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.932 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.647 HG13 ' HD2' ' A' ' 65' ' ' PRO . 87.2 t -148.66 138.7 12.93 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.591 0.71 . . . . 0.0 111.164 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.647 ' HD2' HG13 ' A' ' 64' ' ' VAL . 53.6 Cg_endo -69.79 108.61 2.12 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.693 2.262 . . . . 0.0 112.338 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.528 ' HB3' ' HB3' ' A' ' 71' ' ' GLN . . . -125.14 161.77 26.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.083 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -118.19 25.07 10.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.85 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.1 t -118.17 130.46 56.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -39.98 -54.8 2.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.955 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -44.37 -59.29 2.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.528 ' HB3' ' HB3' ' A' ' 66' ' ' ALA . 6.2 mm-40 -57.86 -47.93 81.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.9 mmpt? -42.73 -65.63 0.45 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.66 HD11 ' HD2' ' A' ' 97' ' ' ARG . 15.2 mt -60.5 -44.88 95.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.944 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.5 t -40.45 -48.2 2.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 50.1 m-20 -63.81 -53.47 50.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.869 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.546 ' CZ2' HG21 ' A' ' 99' ' ' ILE . 60.9 m95 -46.46 -51.95 14.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.952 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -52.27 -39.79 51.73 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.48 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -70.73 -42.12 70.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.848 0.356 . . . . 0.0 110.892 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.8 tp -63.74 -22.98 67.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.639 ' HA ' HD12 ' A' ' 84' ' ' LEU . 37.0 t-20 -74.11 -30.71 62.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 81.2 mtt180 -105.87 3.42 28.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.913 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.9 mmmp? -118.07 -29.34 5.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.421 ' O ' ' C ' ' A' ' 84' ' ' LEU . 87.3 t -117.86 -74.68 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.141 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.639 HD12 ' HA ' ' A' ' 80' ' ' ASN . 83.2 mt -36.28 -60.73 0.55 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.963 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 84' ' ' LEU . 0.0 OUTLIER -35.88 -56.69 0.7 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.842 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 13.5 mmm180 -54.05 -40.29 67.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.897 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.462 ' N ' ' O ' ' A' ' 84' ' ' LEU . 16.1 mt -86.48 29.58 0.77 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.944 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 40.18 37.52 0.42 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -111.86 142.08 44.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.848 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 89.7 p -142.02 148.11 37.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.826 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.676 HG13 ' HD2' ' A' ' 92' ' ' PRO . 93.0 t -151.37 138.82 12.31 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.618 0.723 . . . . 0.0 111.106 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.676 ' HD2' HG13 ' A' ' 91' ' ' VAL . 53.9 Cg_endo -69.8 166.03 29.03 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.697 2.265 . . . . 0.0 112.358 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.18 -48.69 67.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -43.03 -42.74 3.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.586 HG23 ' HG2' ' A' ' 92' ' ' PRO . 71.4 t -70.03 -40.62 78.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.162 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.533 ' HA ' HD12 ' A' ' 99' ' ' ILE . 5.5 mtm -60.95 -53.7 54.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.841 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.66 ' HD2' HD11 ' A' ' 73' ' ' LEU . 22.7 mmm-85 -42.96 -52.35 5.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.84 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 34.0 mttm -54.47 -45.46 73.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.546 HG21 ' CZ2' ' A' ' 76' ' ' TRP . 87.8 mt -54.29 -55.6 13.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -61.47 -14.44 28.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.105 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 22.5 mm-40 -95.73 11.28 34.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.936 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 51.3 m 57.32 54.2 6.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.515 ' CB ' HG21 ' A' ' 106' ' ' VAL . . . -90.2 125.21 60.99 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.59 0.71 . . . . 0.0 111.115 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 132.8 24.02 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.716 2.277 . . . . 0.0 112.359 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 82.81 -13.52 42.48 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.497 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.515 HG21 ' CB ' ' A' ' 103' ' ' ALA . 89.0 t -79.58 -72.63 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.901 0.382 . . . . 0.0 111.131 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 3.5 p -49.55 -38.07 12.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.114 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.547 ' CD ' HD22 ' A' ' 17' ' ' LEU . 41.4 mt-10 -56.57 -45.51 81.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.459 HD12 ' HA ' ' A' ' 106' ' ' VAL . 12.1 mt -48.67 -24.41 1.36 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.933 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 11.3 t -96.8 -23.58 4.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.144 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.456 ' HB3' HD11 ' A' ' 20' ' ' LEU . 93.2 mt -78.72 -42.79 27.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.523 ' N ' ' HD2' ' A' ' 113' ' ' PRO . 2.9 mt -42.92 -58.36 4.02 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.597 0.713 . . . . 0.0 111.12 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.523 ' HD2' ' N ' ' A' ' 112' ' ' ILE . 53.6 Cg_endo -69.75 -35.93 11.75 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.644 2.229 . . . . 0.0 112.358 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 6.2 tp -41.38 -63.63 0.67 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.416 ' HD3' ' C ' ' A' ' 115' ' ' ARG . 0.0 OUTLIER -53.64 -45.35 70.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 179.926 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -55.01 -35.42 64.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 11.7 mmp_? -75.31 -52.07 11.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.884 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.58 HD13 ' CD1' ' A' ' 53' ' ' TYR . 60.8 mt -49.79 -36.86 27.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.952 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -56.53 -52.68 63.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -60.89 -46.11 91.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.439 ' HG3' ' CD2' ' A' ' 87' ' ' LEU . 10.8 mmm180 -52.69 -39.97 62.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -63.36 -74.65 0.09 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.915 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 -129.05 157.49 41.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 56.5 mtm-85 -134.96 157.1 47.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.824 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 14.1 mmm180 -69.87 130.93 43.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.832 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 21.5 tptt -153.63 128.23 9.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.955 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.0 m 54.94 41.75 31.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.933 0.397 . . . . 0.0 110.907 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.6 p -128.42 141.65 51.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.873 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.21 118.28 4.21 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.475 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.9 p -147.09 139.55 24.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.868 0.366 . . . . 0.0 110.896 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.0 t -169.88 161.72 9.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 124.63 154.36 8.82 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.499 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.3 ptm -49.98 155.86 0.85 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.784 0.326 . . . . 0.0 110.901 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -50.52 139.89 15.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.071 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 9.4 t -166.44 -178.76 4.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.8 t -39.8 160.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.868 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 88.2 t -40.95 135.14 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.083 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -123.64 171.03 9.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -49.66 -46.95 50.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -48.61 -44.54 37.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.04 -37.83 86.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.125 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 42.8 mt -60.13 -34.78 74.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.541 ' CE1' HD21 ' A' ' 22' ' ' LEU . 4.7 t-160 -64.61 -56.67 12.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.857 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 47.3 mm-40 -42.27 -42.0 2.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.875 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.1 tp -69.68 -39.43 76.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.924 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.644 ' CE1' HD13 ' A' ' 36' ' ' LEU . 17.8 m-85 -65.77 -51.16 61.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.935 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.541 HD21 ' CE1' ' A' ' 18' ' ' HIS . 10.2 mt -53.98 -51.95 62.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.876 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.571 ' CZ2' ' HB3' ' A' ' 115' ' ' ARG . 4.3 t90 -40.17 -45.26 1.99 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.519 HG23 ' CE3' ' A' ' 23' ' ' TRP . 58.1 t -79.45 -50.13 18.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.103 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 52.2 m-20 -41.95 -42.05 2.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -61.9 -48.27 81.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 90.5 mt -64.46 126.21 90.13 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.646 0.736 . . . . 0.0 111.111 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 100.88 0.85 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.662 2.242 . . . . 0.0 112.331 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.426 HD13 HD11 ' A' ' 45' ' ' LEU . 28.4 mt -111.29 106.3 15.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.9 m -56.97 87.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.838 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.9 mtp85 -163.62 157.5 16.58 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.646 0.736 . . . . 0.0 110.846 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 179.1 3.92 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.666 2.244 . . . . 0.0 112.347 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.66 53.1 0.93 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.433 ' O ' ' C ' ' A' ' 35' ' ' ASN . 6.7 tpt85 -90.34 155.63 18.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.885 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.433 ' C ' ' O ' ' A' ' 34' ' ' ARG . 11.9 m120 -34.13 139.99 0.07 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.644 HD13 ' CE1' ' A' ' 21' ' ' TYR . 13.7 mt -72.6 -14.81 61.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 48.3 t -68.38 -44.85 74.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 44.5 ttt85 -90.96 -46.51 8.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.862 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 37.5 t0 -44.33 -43.16 7.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -85.77 -33.59 21.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.862 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.7 t -41.48 -33.7 0.46 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.866 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -83.84 123.09 29.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.893 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.83 -21.64 75.19 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.505 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.519 HG21 ' HA ' ' A' ' 65' ' ' PRO . 24.5 t -54.32 -18.19 2.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.841 0.353 . . . . 0.0 111.14 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.426 HD11 HD13 ' A' ' 29' ' ' LEU . 22.7 tp -99.65 -48.26 4.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.936 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 78.3 t -45.41 -37.85 2.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.161 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.62 -44.65 95.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.097 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -51.54 -50.23 60.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 90.0 t -45.4 -45.79 3.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.13 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 56.5 mt -60.92 -35.64 66.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.141 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 7.7 tptm -45.81 -55.87 6.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.94 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -45.43 -47.13 13.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -74.88 -67.29 0.66 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.94 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -124.62 105.68 30.1 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.65 0.738 . . . . 0.0 110.894 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -47.83 0.84 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.697 2.265 . . . . 0.0 112.325 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 42.4 mtpt -55.64 -44.51 77.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 64.5 mmm -55.92 -38.18 69.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.909 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 56.0 t -72.45 124.8 29.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.13 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -130.79 48.41 2.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.406 ' O ' ' N ' ' A' ' 62' ' ' ASN . 17.0 mtp -55.61 -19.19 9.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -43.25 -23.94 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.406 ' N ' ' O ' ' A' ' 60' ' ' MET . 67.3 m-20 -98.27 -40.42 8.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.863 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -72.41 141.92 48.68 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.933 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.637 HG13 ' HD2' ' A' ' 65' ' ' PRO . 98.0 t -140.99 138.37 17.94 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.643 0.735 . . . . 0.0 111.152 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.637 ' HD2' HG13 ' A' ' 64' ' ' VAL . 53.8 Cg_endo -69.73 110.57 2.58 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.645 2.23 . . . . 0.0 112.374 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -118.79 124.86 48.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.085 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -55.03 -32.22 61.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 50.7 m -63.1 139.97 58.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.53 HD13 ' O ' ' A' ' 69' ' ' LEU . 1.0 OUTLIER -69.55 -57.64 4.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.93 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.441 ' C ' ' O ' ' A' ' 69' ' ' LEU . 78.2 mt-30 -34.58 -45.26 0.23 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 22.0 tp60 -57.98 -54.11 50.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.957 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.4 mmpt? -41.67 -60.36 1.37 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.894 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.56 HD21 ' HA ' ' A' ' 97' ' ' ARG . 14.6 mt -52.62 -48.66 66.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.896 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 4.2 t -53.45 -41.38 66.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.845 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -66.66 -56.31 11.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.526 ' CZ2' HG21 ' A' ' 99' ' ' ILE . 40.0 m95 -45.0 -51.27 10.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.914 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -49.56 -39.69 30.64 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.47 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 40.2 m170 -69.77 -44.59 69.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.821 0.343 . . . . 0.0 110.824 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.7 tp -59.66 -16.53 27.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.789 ' HA ' HD12 ' A' ' 84' ' ' LEU . 54.0 t-20 -79.61 -37.88 35.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 30.9 mtm180 -102.84 4.76 38.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 30.0 mmtt -116.65 -34.62 4.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 96.4 t -112.06 -74.73 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.789 HD12 ' HA ' ' A' ' 80' ' ' ASN . 24.3 mt -43.03 -42.75 3.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 6.3 tmtm? -44.43 -46.9 9.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.929 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 -74.71 -20.19 59.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.422 ' N ' ' O ' ' A' ' 84' ' ' LEU . 65.2 mt -96.27 20.32 10.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 44.25 31.28 0.54 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -111.75 131.25 55.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.838 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 82.8 p -121.07 150.71 40.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 13.4 t -152.15 130.24 6.1 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.594 0.711 . . . . 0.0 111.157 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 176.47 6.72 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.722 2.281 . . . . 0.0 112.335 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -79.57 -41.43 27.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.854 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 9.3 p30 -50.0 -34.82 22.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 54.8 t -79.09 -36.44 18.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.157 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.582 ' HA ' HD12 ' A' ' 99' ' ' ILE . 5.5 mtm -67.44 -51.13 55.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.56 ' HA ' HD21 ' A' ' 73' ' ' LEU . 33.7 mtp180 -43.64 -46.44 7.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.56 ' HB2' HG11 ' A' ' 106' ' ' VAL . 68.7 mttt -63.2 -44.76 94.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.582 HD12 ' HA ' ' A' ' 96' ' ' MET . 91.4 mt -52.35 -52.42 25.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.161 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.2 -23.61 64.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.058 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 -81.25 12.46 3.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.949 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 64.0 m 54.0 46.91 24.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -98.32 121.36 57.16 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.561 0.696 . . . . 0.0 111.143 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 151.7 69.24 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.676 2.251 . . . . 0.0 112.343 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 76.21 15.18 81.62 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.506 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.56 HG11 ' HB2' ' A' ' 98' ' ' LYS . 51.0 t -118.87 -65.61 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.883 0.373 . . . . 0.0 111.116 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 1.6 p -56.52 -35.22 43.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.137 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -59.74 -40.31 87.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 79.5 mt -52.64 -20.88 3.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.94 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 85.3 t -100.57 -23.69 4.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.154 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 86.4 mt -72.69 -40.75 65.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.531 ' N ' ' HD2' ' A' ' 113' ' ' PRO . 3.8 mt -53.24 -57.86 14.96 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.614 0.721 . . . . 0.0 111.138 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.531 ' HD2' ' N ' ' A' ' 112' ' ' ILE . 53.4 Cg_endo -69.84 -35.86 11.63 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.65 2.233 . . . . 0.0 112.32 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 5.9 tp -48.07 -61.55 1.92 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.914 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.571 ' HB3' ' CZ2' ' A' ' 23' ' ' TRP . 51.1 ptt85 -55.37 -43.62 75.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.408 ' N ' ' HG3' ' A' ' 115' ' ' ARG . 39.2 mm-40 -53.13 -42.24 65.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.954 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 43.8 mmt-85 -68.1 -55.28 13.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 10.2 mt -50.2 -40.84 48.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -55.18 -52.23 63.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.86 -49.63 74.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -57.04 -36.77 70.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.854 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -42.34 -30.11 0.3 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 9.1 ptt85 -75.95 150.7 37.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -126.4 175.59 7.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 2.0 tpm_? -96.9 137.22 36.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.841 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 12.9 tptm -112.61 152.39 28.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 54.6 tp60 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.92 179.93 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.4 p -82.1 43.29 0.78 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.898 0.38 . . . . 0.0 110.861 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.8 m -157.46 173.84 16.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.82 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 154.1 -42.83 0.61 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.468 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 4' ' ' GLY . 44.0 p -37.22 153.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.875 0.369 . . . . 0.0 110.834 -179.71 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.0 p -169.4 162.62 10.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.5 132.19 10.98 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.476 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 18.5 ttp -128.5 99.53 5.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.784 0.326 . . . . 0.0 110.859 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.433 ' O ' ' C ' ' A' ' 10' ' ' SER . . . -115.53 165.51 12.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.083 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 9' ' ' ALA . 1.4 t -35.4 -46.35 0.38 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.789 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 97.1 p -123.19 135.72 54.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.848 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.476 ' CG1' ' HB3' ' A' ' 16' ' ' ALA . 90.7 t -84.23 134.17 27.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.139 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -89.27 168.52 12.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -56.85 -49.86 74.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -44.5 -39.75 5.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.476 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . . . -52.54 -42.04 64.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.045 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.5 mt -56.27 -47.79 77.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.866 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.583 ' CE1' HD21 ' A' ' 22' ' ' LEU . 2.1 t-160 -41.99 -53.56 3.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.47 ' HA ' HD12 ' A' ' 22' ' ' LEU . 46.4 mm-40 -40.86 -41.23 1.54 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.926 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.696 HD22 ' OE2' ' A' ' 108' ' ' GLU . 7.2 tp -73.72 -35.72 65.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.439 ' N ' ' O ' ' A' ' 18' ' ' HIS . 22.0 m-85 -72.59 -22.67 60.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.583 HD21 ' CE1' ' A' ' 18' ' ' HIS . 10.2 mt -85.75 -41.76 14.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.904 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 4.4 t90 -53.82 -39.63 65.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.898 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.441 ' O ' ' C ' ' A' ' 25' ' ' ASP . 92.8 t -69.62 -52.49 31.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.121 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.441 ' C ' ' O ' ' A' ' 24' ' ' VAL . 2.4 t70 -35.01 -52.3 0.55 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 35.9 t30 -38.32 -53.43 1.49 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.534 ' CD1' HG13 ' A' ' 49' ' ' VAL . 25.8 mt -66.44 129.98 94.16 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.609 0.718 . . . . 0.0 111.156 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 96.15 0.58 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.669 2.246 . . . . 0.0 112.357 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.48 ' O ' ' N ' ' A' ' 31' ' ' ARG . 11.5 mt -127.15 -54.74 1.37 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 19.7 m 39.42 25.75 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.524 ' N ' ' HD2' ' A' ' 32' ' ' PRO . 11.8 ttm-85 -59.41 -58.76 17.07 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.555 0.693 . . . . 0.0 110.888 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.524 ' HD2' ' N ' ' A' ' 31' ' ' ARG . 53.6 Cg_endo -69.79 120.98 7.67 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.648 2.232 . . . . 0.0 112.362 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.483 ' HD2' ' N ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -82.8 -2.32 54.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.483 ' N ' ' HD2' ' A' ' 33' ' ' LYS . 16.3 ttt180 -126.22 -70.34 0.73 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.864 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -143.56 157.5 44.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.576 HD12 ' N ' ' A' ' 37' ' ' SER . 4.1 pp -90.52 -43.99 9.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.576 ' N ' HD12 ' A' ' 36' ' ' LEU . 22.6 t -46.87 -23.41 0.44 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.45 ' NE ' ' HA ' ' A' ' 38' ' ' ARG . 8.4 tpm_? -88.38 -35.56 17.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.43 ' O ' ' C ' ' A' ' 40' ' ' PHE . 8.9 t0 -75.3 -58.39 3.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.45 ' N ' HD23 ' A' ' 45' ' ' LEU . 10.0 m-85 -35.46 -54.68 0.67 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.849 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 40' ' ' PHE . 42.6 t -37.09 -45.23 0.59 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 -179.791 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.546 ' CG ' ' N ' ' A' ' 43' ' ' GLY . 0.3 OUTLIER -43.73 -55.44 4.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 179.927 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.546 ' N ' ' CG ' ' A' ' 42' ' ' ASP . . . 117.59 -39.12 2.72 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.479 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.416 ' N ' ' OD2' ' A' ' 42' ' ' ASP . 22.0 t -62.34 -40.98 89.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.843 0.354 . . . . 0.0 111.13 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.476 ' O ' HD12 ' A' ' 45' ' ' LEU . 4.9 tp -63.91 -43.22 96.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.909 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 95.9 t -50.16 -47.88 24.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.137 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.409 ' O ' HG21 ' A' ' 58' ' ' VAL . . . -50.44 -54.04 25.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.083 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -45.73 -48.52 15.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.861 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.534 HG13 ' CD1' ' A' ' 27' ' ' ILE . 89.9 t -50.2 -54.66 7.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.156 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 92.9 mt -50.37 -44.17 23.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.168 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.468 ' CD ' ' HA ' ' A' ' 55' ' ' PRO . 4.0 tppp? -38.61 -58.42 1.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.411 ' C ' ' O ' ' A' ' 51' ' ' LYS . 27.7 t80 -37.62 -52.62 1.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 58.0 m-85 -73.13 -54.64 7.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.954 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.406 ' HA ' ' HD2' ' A' ' 55' ' ' PRO . 31.7 m-85 -129.96 97.52 23.38 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.635 0.731 . . . . 0.0 110.9 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.468 ' HA ' ' CD ' ' A' ' 51' ' ' LYS . 53.4 Cg_endo -69.7 -22.04 32.92 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.731 2.287 . . . . 0.0 112.344 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.406 ' HG3' ' N ' ' A' ' 57' ' ' MET . 16.0 pttp -78.87 -31.41 45.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.406 ' N ' ' HG3' ' A' ' 56' ' ' LYS . 21.2 mmm -64.28 -49.54 71.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.409 HG21 ' O ' ' A' ' 47' ' ' ALA . 93.2 t -76.33 139.09 19.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.115 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -115.61 -49.21 2.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 15.7 mmt 61.45 43.94 9.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 13.4 m170 -122.01 -34.18 3.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -95.82 -37.1 10.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 52.3 m-85 -70.91 136.32 48.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.602 HG13 ' HD2' ' A' ' 65' ' ' PRO . 89.6 t -138.15 136.78 19.83 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.631 0.729 . . . . 0.0 111.141 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.602 ' HD2' HG13 ' A' ' 64' ' ' VAL . 54.6 Cg_endo -69.71 97.42 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.726 2.284 . . . . 0.0 112.378 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -116.81 166.95 11.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.103 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -101.78 -40.09 7.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 16.2 m -46.06 140.83 3.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 32.9 tp -62.35 -47.72 82.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.914 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -51.57 -47.57 63.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -56.37 -52.04 66.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.438 ' NZ ' ' HA ' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -45.13 -67.74 0.26 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.474 ' HG ' ' CB ' ' A' ' 100' ' ' ALA . 13.6 mt -52.78 -50.33 63.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.553 ' O ' ' CE1' ' A' ' 78' ' ' HIS . 2.5 t -46.39 -36.2 6.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.871 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 -76.82 -47.6 20.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.418 ' CZ2' HG21 ' A' ' 99' ' ' ILE . 37.3 m95 -56.65 -54.6 44.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.896 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -43.33 -41.03 4.92 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.475 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.553 ' CE1' ' O ' ' A' ' 74' ' ' SER . 0.3 OUTLIER -67.86 -49.81 59.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.86 0.362 . . . . 0.0 110.825 -179.929 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.9 tp -56.28 -13.16 1.95 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.629 ' HA ' HD12 ' A' ' 84' ' ' LEU . 35.0 t-20 -82.48 -23.66 34.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 41.4 mtp180 -111.79 -19.57 12.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -92.49 -33.35 14.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.461 ' O ' ' C ' ' A' ' 84' ' ' LEU . 72.7 t -112.67 -76.5 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.121 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.629 HD12 ' HA ' ' A' ' 80' ' ' ASN . 73.7 mt -33.53 -53.07 0.41 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.933 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 12.1 tptp -43.15 -51.37 5.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 14.9 mmt85 -59.74 -31.08 69.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.463 HD22 ' HB3' ' A' ' 117' ' ' ARG . 9.6 mt -91.75 27.13 2.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.94 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 1.6 t30 41.38 34.88 0.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -108.54 161.36 15.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 22.8 p -154.81 131.65 10.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.653 HG13 ' HD2' ' A' ' 92' ' ' PRO . 84.3 t -127.58 138.63 33.25 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.608 0.718 . . . . 0.0 111.142 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.653 ' HD2' HG13 ' A' ' 91' ' ' VAL . 54.2 Cg_endo -69.72 159.19 54.38 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.685 2.257 . . . . 0.0 112.345 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -68.5 -15.96 63.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -75.64 -44.03 44.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.869 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.408 HG23 ' HG2' ' A' ' 92' ' ' PRO . 18.4 t -64.17 -28.95 46.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.101 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 6.7 mtm -67.55 -48.7 66.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 65.7 mmt-85 -48.54 -38.43 20.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.499 ' HB2' HG11 ' A' ' 106' ' ' VAL . 21.3 mttp -68.19 -59.82 2.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.909 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.418 HG21 ' CZ2' ' A' ' 76' ' ' TRP . 66.4 mt -46.18 -47.13 6.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.114 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.474 ' CB ' ' HG ' ' A' ' 73' ' ' LEU . . . -65.59 -27.88 68.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.09 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 51.7 mm-40 -80.38 6.52 11.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . 0.405 ' CA ' HH22 ' A' ' 38' ' ' ARG . 32.8 m 60.45 53.59 4.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.933 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -96.09 123.75 54.13 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.562 0.696 . . . . 0.0 111.088 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 121.22 7.91 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.645 2.23 . . . . 0.0 112.348 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 112.92 -57.33 0.44 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.478 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.499 HG11 ' HB2' ' A' ' 98' ' ' LYS . 45.0 t -46.49 -52.74 3.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.91 0.386 . . . . 0.0 111.154 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.589 HG13 ' N ' ' A' ' 108' ' ' GLU . 10.7 p -63.47 -48.38 87.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.111 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.696 ' OE2' HD22 ' A' ' 20' ' ' LEU . 9.7 tm-20 -53.6 -41.93 67.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 69.7 mt -58.25 -23.93 57.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 106' ' ' VAL . 5.6 t -92.0 -26.9 4.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.104 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 77.2 mt -73.44 -36.8 65.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.918 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.534 ' N ' ' HD2' ' A' ' 113' ' ' PRO . 3.8 mt -56.11 -57.81 20.12 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.597 0.713 . . . . 0.0 111.142 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.534 ' HD2' ' N ' ' A' ' 112' ' ' ILE . 53.0 Cg_endo -69.82 -38.75 7.24 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.654 2.236 . . . . 0.0 112.314 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 9.3 tp -48.37 -46.9 37.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.919 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 30.3 ttt180 -63.53 -46.35 86.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.909 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -46.58 -38.81 10.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.463 ' HB3' HD22 ' A' ' 87' ' ' LEU . 22.6 mmm180 -72.92 -55.41 6.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.422 ' C ' ' O ' ' A' ' 117' ' ' ARG . 29.5 mt -36.2 -43.25 0.34 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -74.84 -44.43 49.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.903 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 117' ' ' ARG . 9.4 mt-10 -45.98 -23.13 0.26 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.868 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 43.1 mtt-85 -91.99 -43.74 9.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -47.84 -55.32 10.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.956 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 19.8 ptt85 -66.42 164.53 16.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -141.75 142.51 33.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.844 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 18.0 mmt180 -75.05 91.66 2.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.838 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 3.3 mtpm? -99.24 178.07 5.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.909 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.877 179.979 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.2 t -162.25 153.48 17.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.857 0.361 . . . . 0.0 110.84 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.9 p -139.72 176.13 8.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.89 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.08 165.77 26.84 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.518 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.6 t -70.03 112.02 6.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.924 0.392 . . . . 0.0 110.83 -179.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.5 m -134.91 145.22 48.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.841 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.09 118.84 9.05 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.494 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 27.3 mtt -79.59 93.87 5.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.796 0.332 . . . . 0.0 110.89 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -152.75 127.62 9.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.062 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 37.9 p 46.09 43.0 10.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.2 m -129.99 167.81 17.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.873 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 63.4 t -84.21 140.2 16.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.147 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -85.24 172.91 10.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -68.47 -45.65 71.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -50.82 -52.39 41.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.899 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -47.6 -52.89 16.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.076 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 65.2 mt -55.71 -46.1 77.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.877 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -39.47 -55.32 1.81 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 25.6 mm100 -42.19 -44.41 3.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.863 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.0 tp -68.34 -43.73 76.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.551 ' CE1' HD13 ' A' ' 36' ' ' LEU . 16.2 m-85 -60.11 -45.01 94.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 21.4 mt -59.8 -38.73 82.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.909 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.466 ' CZ2' ' HB2' ' A' ' 115' ' ' ARG . 12.3 t90 -55.7 -34.23 64.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.428 ' O ' ' C ' ' A' ' 25' ' ' ASP . 83.3 t -84.09 -49.27 16.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.124 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 24' ' ' VAL . 6.3 t70 -35.3 -48.35 0.46 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -47.51 -49.77 25.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.457 HG23 ' CD2' ' A' ' 52' ' ' PHE . 22.6 mt -70.03 119.57 72.53 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.626 0.727 . . . . 0.0 111.161 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 120.77 7.51 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.64 2.227 . . . . 0.0 112.363 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.45 ' O ' ' C ' ' A' ' 30' ' ' SER . 19.2 mt -128.93 35.52 4.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.911 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 29' ' ' LEU . 5.0 m 33.99 38.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.48 ' CG ' ' HD2' ' A' ' 32' ' ' PRO . 6.2 ttt85 -148.21 140.99 15.04 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.564 0.697 . . . . 0.0 110.884 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.48 ' HD2' ' CG ' ' A' ' 31' ' ' ARG . 53.8 Cg_endo -69.74 -175.95 1.32 Allowed 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.664 2.243 . . . . 0.0 112.339 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.446 ' O ' ' C ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -86.47 -70.31 0.61 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.937 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.446 ' C ' ' O ' ' A' ' 33' ' ' LYS . 37.4 mtt180 -33.81 149.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.903 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 68.73 55.02 0.47 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.551 HD13 ' CE1' ' A' ' 21' ' ' TYR . 11.7 mt -88.86 -37.31 15.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.9 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 46.4 t -44.16 -63.29 0.9 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.829 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 13.6 tpt180 -67.06 -55.23 15.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.796 ' OD1' HD22 ' A' ' 45' ' ' LEU . 44.5 t0 -37.63 -53.0 1.23 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.492 ' O ' ' N ' ' A' ' 42' ' ' ASP . 6.0 m-85 -78.11 -40.35 38.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 40' ' ' PHE . 40.2 t -35.56 -31.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.882 -179.801 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.492 ' N ' ' O ' ' A' ' 40' ' ' PHE . 1.2 p30 -93.11 99.03 11.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.898 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 42' ' ' ASP . . . -34.77 -35.22 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.456 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.584 HG21 ' HA ' ' A' ' 65' ' ' PRO . 98.8 t -38.3 -56.2 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.816 0.341 . . . . 0.0 111.089 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.796 HD22 ' OD1' ' A' ' 39' ' ' ASP . 20.7 tp -58.84 -46.62 87.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 94.6 t -46.75 -55.42 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.157 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.509 ' HA ' HD12 ' A' ' 50' ' ' ILE . . . -46.91 -45.64 20.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.109 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 -47.14 -52.69 14.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.926 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 87.8 t -45.6 -58.28 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.099 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.509 HD12 ' HA ' ' A' ' 47' ' ' ALA . 38.2 mt -43.15 -42.65 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.098 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.447 ' O ' ' C ' ' A' ' 52' ' ' PHE . 0.2 OUTLIER -42.18 -61.58 1.13 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.847 179.897 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.457 ' CD2' HG23 ' A' ' 27' ' ' ILE . 5.9 t80 -34.66 -42.36 0.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -82.32 -56.83 3.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.403 ' CZ ' ' HB3' ' A' ' 121' ' ' ARG . 29.3 m-85 -134.18 114.51 12.68 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.682 0.753 . . . . 0.0 110.87 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -31.77 20.07 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.696 2.264 . . . . 0.0 112.337 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 57' ' ' MET . 23.2 mtpp -70.68 -61.61 1.7 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.431 ' C ' ' O ' ' A' ' 56' ' ' LYS . 50.6 mtp -36.2 -39.25 0.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 85.7 t -68.57 119.28 14.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.115 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -117.34 42.77 2.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.417 ' O ' ' C ' ' A' ' 61' ' ' HIS . 11.8 tpp -55.66 -39.26 70.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.866 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.417 ' C ' ' O ' ' A' ' 60' ' ' MET . 4.5 t-160 -36.26 -34.38 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.851 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.414 ' N ' ' O ' ' A' ' 60' ' ' MET . 1.4 m-20 -87.93 -52.53 5.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 91.9 m-85 -57.02 161.2 3.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.922 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.684 HG13 ' HD2' ' A' ' 65' ' ' PRO . 98.5 t -152.82 138.86 11.99 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.603 0.716 . . . . 0.0 111.165 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.684 ' HD2' HG13 ' A' ' 64' ' ' VAL . 53.7 Cg_endo -69.75 103.27 1.13 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.69 2.26 . . . . 0.0 112.361 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -95.09 169.47 10.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.101 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 9.5 m-20 -111.79 -37.54 5.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.887 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 24.3 t -71.33 112.67 7.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 23.0 tp -38.07 -38.29 0.32 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 90.2 mm-40 -53.18 -56.89 12.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.434 ' O ' ' C ' ' A' ' 72' ' ' LYS . 36.4 tp60 -56.27 -48.11 77.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 71' ' ' GLN . 11.5 mmmm -35.78 -60.23 0.54 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.91 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 12.9 mt -49.28 -50.56 38.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 23.0 t -41.52 -46.05 3.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 27.8 m-20 -63.0 -59.88 4.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.904 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 38.1 m95 -43.95 -58.27 2.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.96 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -38.86 -57.49 1.98 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.466 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.446 ' O ' ' N ' ' A' ' 82' ' ' LYS . 33.3 m80 -53.64 -43.38 68.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.791 0.329 . . . . 0.0 110.845 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.4 tp -53.84 -25.43 19.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.686 ' HA ' HD12 ' A' ' 84' ' ' LEU . 59.1 t-20 -68.27 -37.15 80.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 23.6 mmm180 -110.45 1.31 18.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.834 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 78' ' ' HIS . 32.4 mmtt -104.66 -27.86 11.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.894 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.428 ' O ' ' C ' ' A' ' 84' ' ' LEU . 44.2 t -128.99 -69.29 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.132 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.686 HD12 ' HA ' ' A' ' 80' ' ' ASN . 78.3 mt -36.26 -55.22 0.81 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 34.7 tttm -40.15 -49.71 2.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.942 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.424 ' HB3' ' NH1' ' A' ' 86' ' ' ARG . 6.0 mmm180 -56.24 -39.99 73.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.41 ' O ' ' C ' ' A' ' 88' ' ' ASN . 10.5 mt -92.86 33.01 1.18 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.943 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 87' ' ' LEU . 4.2 m120 37.09 36.4 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -105.24 134.8 47.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 57.0 p -123.6 147.31 47.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 85.7 t -149.74 125.43 5.0 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.655 0.74 . . . . 0.0 111.095 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.494 ' HG2' HG23 ' A' ' 95' ' ' VAL . 53.7 Cg_endo -69.77 135.4 30.33 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.651 2.234 . . . . 0.0 112.302 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -42.56 -36.65 1.42 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -51.88 -54.7 26.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.494 HG23 ' HG2' ' A' ' 92' ' ' PRO . 42.5 t -57.64 -37.8 60.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.141 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 11.1 mtm -62.96 -47.77 81.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.87 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 11.5 mmm180 -45.5 -49.63 13.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.878 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.455 ' HB3' ' CB ' ' A' ' 103' ' ' ALA . 23.2 mttm -61.05 -60.98 2.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.855 HG23 ' HB ' ' A' ' 107' ' ' VAL . 85.4 mt -38.88 -67.63 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.122 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -49.71 -31.94 12.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.131 179.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.432 ' O ' ' C ' ' A' ' 102' ' ' CYS . 12.1 mm-40 -86.78 33.53 0.65 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . 0.432 ' C ' ' O ' ' A' ' 101' ' ' GLN . 21.8 p 34.69 38.37 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.64 ' HB1' ' HD2' ' A' ' 104' ' ' PRO . . . -55.29 162.47 2.16 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.587 0.708 . . . . 0.0 111.09 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.64 ' HD2' ' HB1' ' A' ' 103' ' ' ALA . 53.4 Cg_endo -69.75 114.72 3.79 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.682 2.254 . . . . 0.0 112.323 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 104' ' ' PRO . . . 36.14 81.18 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.451 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.425 HG11 ' HB2' ' A' ' 98' ' ' LYS . 74.9 t -134.83 -54.5 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.87 0.367 . . . . 0.0 111.189 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.855 ' HB ' HG23 ' A' ' 99' ' ' ILE . 12.0 p -57.76 -28.34 32.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.14 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.4 ' HA ' HD12 ' A' ' 111' ' ' LEU . 39.5 mp0 -61.24 -45.01 96.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 20.9 mt -48.33 -22.48 0.7 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.929 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 40.8 t -100.29 -27.23 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.164 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.4 HD12 ' HA ' ' A' ' 108' ' ' GLU . 81.0 mt -71.65 -43.04 66.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.525 ' N ' ' HD2' ' A' ' 113' ' ' PRO . 3.7 mt -51.09 -57.92 12.2 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.599 0.714 . . . . 0.0 111.085 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.525 ' HD2' ' N ' ' A' ' 112' ' ' ILE . 54.1 Cg_endo -69.74 -21.23 33.88 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.685 2.257 . . . . 0.0 112.377 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 7.4 tp -52.86 -54.48 33.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.466 ' HB2' ' CZ2' ' A' ' 23' ' ' TRP . 26.7 ttt180 -57.92 -45.3 86.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 11.9 mm-40 -49.84 -55.1 15.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -58.33 -50.89 72.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.405 HD12 ' HA ' ' A' ' 115' ' ' ARG . 35.5 mt -51.02 -46.31 61.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -47.43 -50.15 23.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -56.31 -24.44 43.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.403 ' HB3' ' CZ ' ' A' ' 54' ' ' PHE . 6.8 mmt180 -88.94 -38.1 14.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -42.68 -66.01 0.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 1.4 ptm85 -46.57 -39.55 11.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.425 ' HB2' ' NH1' ' A' ' 124' ' ' ARG . 27.3 mtm105 -92.78 95.32 9.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 4.9 ptt-85 -137.45 171.42 14.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.91 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 2.2 mtpm? -115.64 127.29 55.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 17.7 mm100 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 179.923 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.3 m -61.19 152.28 29.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.867 0.365 . . . . 0.0 110.853 -179.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.6 t -166.86 129.85 1.83 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.846 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.48 152.99 3.08 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.516 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.7 p -129.54 49.09 2.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.922 0.391 . . . . 0.0 110.837 -179.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 p -84.26 23.79 1.04 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.89 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.08 -144.56 8.79 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.493 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 29.4 mmt -97.55 63.94 1.79 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.837 0.351 . . . . 0.0 110.926 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -126.18 37.0 4.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.092 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.5 m -138.09 153.58 49.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.835 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.7 m -83.38 160.18 21.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.827 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.537 HG13 ' HB3' ' A' ' 16' ' ' ALA . 94.8 t -40.93 130.24 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.139 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -93.63 173.16 7.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.833 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -55.73 -47.83 76.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -48.77 -46.65 41.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.537 ' HB3' HG13 ' A' ' 12' ' ' VAL . . . -70.29 -39.77 74.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.143 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 41.9 mt -59.54 -49.66 76.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 12.9 t-160 -39.0 -53.29 1.77 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.866 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.545 ' HA ' HD12 ' A' ' 22' ' ' LEU . 28.5 mm100 -43.11 -41.84 3.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.855 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.709 HD22 HG13 ' A' ' 112' ' ' ILE . 20.7 tp -68.95 -37.19 78.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.546 ' CE1' ' OE1' ' A' ' 108' ' ' GLU . 10.6 m-85 -63.06 -41.33 99.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.943 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.545 HD12 ' HA ' ' A' ' 19' ' ' GLN . 14.0 mt -60.31 -52.75 63.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.892 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.577 ' CH2' HG11 ' A' ' 49' ' ' VAL . 20.0 t90 -39.32 -41.5 0.92 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.921 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.456 ' HA ' HD12 ' A' ' 27' ' ' ILE . 79.4 t -68.9 -38.48 78.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.155 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 22' ' ' LEU . 52.1 m-20 -63.58 -43.97 95.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.425 ' ND2' ' HA ' ' A' ' 23' ' ' TRP . 3.4 m-20 -53.43 -50.85 64.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.803 HD13 HG13 ' A' ' 49' ' ' VAL . 19.6 mt -51.74 133.63 36.97 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.645 0.736 . . . . 0.0 111.088 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.47 ' HD2' HG23 ' A' ' 27' ' ' ILE . 53.6 Cg_endo -69.79 86.16 0.59 Allowed 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.643 2.229 . . . . 0.0 112.374 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 29.9 mt -124.71 126.87 46.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 31.6 m -76.79 49.85 0.66 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.834 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.509 ' HG3' HD11 ' A' ' 45' ' ' LEU . 2.9 mmp_? -124.09 152.4 66.98 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.632 0.729 . . . . 0.0 110.9 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.481 ' O ' ' N ' ' A' ' 34' ' ' ARG . 53.2 Cg_endo -69.78 97.75 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.685 2.257 . . . . 0.0 112.329 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 32' ' ' PRO . 0.0 OUTLIER -37.39 -29.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.927 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.481 ' N ' ' O ' ' A' ' 32' ' ' PRO . 94.5 mtt180 -85.2 142.05 29.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.871 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.643 HD22 ' N ' ' A' ' 35' ' ' ASN . 0.9 OUTLIER 58.82 33.54 23.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.923 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.531 HD12 ' N ' ' A' ' 37' ' ' SER . 4.2 pp -64.19 -39.61 94.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.531 ' N ' HD12 ' A' ' 36' ' ' LEU . 32.3 t -50.84 -42.03 58.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.888 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 39.8 ttt180 -51.74 -49.61 62.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.894 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.79 -50.84 18.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -43.72 -36.09 2.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 40.9 t -47.96 -40.34 22.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.868 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.432 ' HA ' ' CD ' ' A' ' 72' ' ' LYS . 1.1 m-20 -57.27 -43.26 82.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.846 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 112.44 -38.82 3.09 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.499 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 55.4 t -45.34 -51.93 2.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.853 0.359 . . . . 0.0 111.109 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.509 HD11 ' HG3' ' A' ' 31' ' ' ARG . 4.2 mm? -50.31 -57.46 7.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 93.5 t -43.03 -37.18 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.132 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.89 -53.2 34.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.075 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -49.81 -44.83 49.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.844 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.803 HG13 HD13 ' A' ' 27' ' ' ILE . 79.5 t -49.29 -51.53 13.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.12 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 38.1 mt -53.94 -41.37 49.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.16 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.2 tmtp? -37.08 -55.99 0.92 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -43.19 -45.05 5.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.864 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -75.66 -46.51 30.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.945 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.486 ' CZ ' ' HB3' ' A' ' 121' ' ' ARG . 55.2 m-85 -147.47 120.48 4.8 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.645 0.736 . . . . 0.0 110.835 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -38.49 7.7 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.649 2.232 . . . . 0.0 112.333 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 57' ' ' MET . 19.0 ptmt -65.38 -55.27 19.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.44 ' SD ' ' CD2' ' A' ' 54' ' ' PHE . 75.0 mtp -37.11 -55.1 0.97 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 72.5 t -65.2 114.57 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.127 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -118.38 99.67 6.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.87 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 90.0 mmm -89.88 53.52 2.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 61.7 t60 -112.47 -39.12 4.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.91 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.432 ' OD1' ' CE1' ' A' ' 63' ' ' TYR . 6.0 p30 -100.23 -26.89 13.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.432 ' CE1' ' OD1' ' A' ' 62' ' ' ASN . 21.9 m-85 -78.97 146.81 33.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.656 HG13 ' HD2' ' A' ' 65' ' ' PRO . 93.6 t -156.84 138.54 9.93 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.659 0.742 . . . . 0.0 111.146 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.656 ' HD2' HG13 ' A' ' 64' ' ' VAL . 53.9 Cg_endo -69.77 117.61 5.18 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.714 2.276 . . . . 0.0 112.34 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -129.18 -179.31 5.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 -118.79 -44.35 2.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 9.0 t -56.5 128.76 37.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.853 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 12.9 tp -52.78 -44.94 66.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.895 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 11.1 tp-100 -39.79 -50.14 2.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 72' ' ' LYS . 60.2 tp60 -62.59 -47.32 84.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.432 ' CD ' ' HA ' ' A' ' 42' ' ' ASP . 25.7 mmtm -37.07 -62.76 0.47 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.928 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 14.6 mt -54.84 -46.77 74.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 37.0 t -49.92 -59.91 3.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -48.83 -66.32 0.42 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.841 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.48 ' CZ2' HG21 ' A' ' 99' ' ' ILE . 40.5 m95 -39.82 -54.93 2.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -38.8 -60.6 1.47 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.541 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 12.4 m-70 -54.28 -36.77 63.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.845 0.355 . . . . 0.0 110.886 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.3 tp -61.79 -20.78 63.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.401 ' HA ' HD12 ' A' ' 84' ' ' LEU . 64.5 t-20 -79.84 -28.71 40.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.851 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 9.8 mtt85 -110.21 1.87 18.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.49 -35.94 5.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.441 ' O ' ' C ' ' A' ' 84' ' ' LEU . 92.7 t -112.3 -71.9 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.146 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.441 ' C ' ' O ' ' A' ' 83' ' ' VAL . 41.2 mt -35.0 -57.99 0.54 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 84' ' ' LEU . 9.7 tppt? -35.84 -57.53 0.67 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 19.7 mmt180 -52.54 -44.68 65.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.426 ' O ' ' C ' ' A' ' 88' ' ' ASN . 10.8 mt -86.43 31.77 0.65 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.426 ' C ' ' O ' ' A' ' 87' ' ' LEU . 16.0 m120 36.22 38.6 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -108.91 147.37 32.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 87.5 p -137.89 147.02 44.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.836 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 12.2 t -149.08 130.77 7.42 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.64 0.733 . . . . 0.0 111.126 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.598 ' HG2' HG23 ' A' ' 95' ' ' VAL . 53.2 Cg_endo -69.79 176.0 7.38 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.672 2.248 . . . . 0.0 112.34 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -75.14 -46.75 32.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.843 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -44.68 -51.01 9.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.598 HG23 ' HG2' ' A' ' 92' ' ' PRO . 97.0 t -59.97 -43.05 91.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.155 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.512 ' HA ' HD12 ' A' ' 99' ' ' ILE . 6.1 mtm -61.51 -45.51 93.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -49.3 -48.53 46.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.541 ' HB2' HG11 ' A' ' 106' ' ' VAL . 31.4 mtpt -57.21 -56.17 25.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.512 HD12 ' HA ' ' A' ' 96' ' ' MET . 30.9 mt -47.44 -55.7 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.13 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -59.08 -22.82 61.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -84.91 14.16 5.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.954 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 38.9 t 58.77 40.17 23.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.883 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -77.74 118.34 71.46 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.587 0.708 . . . . 0.0 111.092 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.83 119.37 6.33 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.658 2.238 . . . . 0.0 112.333 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 105.83 -52.74 0.68 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.453 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.541 HG11 ' HB2' ' A' ' 98' ' ' LYS . 60.4 t -43.79 -62.52 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.895 0.378 . . . . 0.0 111.142 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 8.3 p -45.65 -38.68 2.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.101 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.546 ' OE1' ' CE1' ' A' ' 21' ' ' TYR . 4.9 mm-40 -64.3 -35.83 82.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 87.2 mt -53.68 -19.76 4.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 72.4 t -105.97 -25.23 3.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.162 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.421 HD12 ' OE2' ' A' ' 108' ' ' GLU . 75.8 mt -72.3 -39.44 68.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.945 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.709 HG13 HD22 ' A' ' 20' ' ' LEU . 3.7 mt -55.28 -57.88 17.98 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.605 0.716 . . . . 0.0 111.14 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.536 ' HD2' ' N ' ' A' ' 112' ' ' ILE . 53.6 Cg_endo -69.76 -35.97 11.66 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.675 2.25 . . . . 0.0 112.347 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 7.3 tt -58.09 -56.42 22.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.95 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.488 ' HA ' HD12 ' A' ' 118' ' ' LEU . 20.2 ttt180 -53.48 -40.41 65.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 7.3 mm100 -53.02 -56.02 19.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.935 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.431 ' O ' ' N ' ' A' ' 120' ' ' GLU . 9.4 mpt_? -52.46 -53.41 45.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.488 HD12 ' HA ' ' A' ' 115' ' ' ARG . 26.2 mt -36.77 -56.98 0.82 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -45.39 -40.96 8.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.848 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 117' ' ' ARG . 8.3 tm-20 -55.66 -49.84 71.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.486 ' HB3' ' CZ ' ' A' ' 54' ' ' PHE . 69.5 mtt-85 -68.19 -37.18 80.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.9 -66.87 0.43 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.942 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 13.4 ptt85 -66.29 174.2 2.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -166.44 127.39 1.71 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 9.4 tpt180 -80.91 148.82 29.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 15.3 tttp -116.82 39.88 3.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.96 179.944 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.2 m -139.79 115.06 9.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.86 0.362 . . . . 0.0 110.842 -179.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.3 t -92.64 151.42 20.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.55 149.87 51.18 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.501 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.3 p -153.24 105.53 2.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.903 0.382 . . . . 0.0 110.856 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.6 p -120.05 155.57 32.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.87 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -112.91 -109.51 2.96 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.494 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 20.2 ttm -56.2 115.41 2.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.81 0.338 . . . . 0.0 110.89 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -136.42 150.33 48.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.097 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 93.3 p -95.14 177.64 5.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 46.5 p -113.26 162.45 16.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.903 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.52 HG12 ' O ' ' A' ' 12' ' ' VAL . 11.5 t 57.87 35.46 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.13 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -53.85 175.9 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -44.33 -40.96 5.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.898 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -53.31 -52.68 58.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.931 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -43.57 -40.81 4.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.084 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 18' ' ' HIS . 48.0 mt -68.39 -71.32 0.22 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.94 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.429 ' C ' ' O ' ' A' ' 17' ' ' LEU . 4.2 t60 -35.45 -50.33 0.57 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 22.5 mm100 -53.14 -46.91 69.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.441 ' CD2' ' HG2' ' A' ' 108' ' ' GLU . 6.6 tp -64.35 -35.46 80.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.619 ' CE2' ' CD2' ' A' ' 36' ' ' LEU . 3.3 m-85 -63.88 -13.79 48.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 38.8 mt -91.19 -47.68 7.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.867 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 26.2 t90 -46.58 -48.42 19.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.899 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.409 ' O ' ' C ' ' A' ' 25' ' ' ASP . 85.4 t -62.09 -45.93 97.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.098 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 24' ' ' VAL . 42.3 t0 -37.0 -55.51 0.92 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -41.69 -53.31 3.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 49.2 mt -67.73 123.09 86.09 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.64 0.733 . . . . 0.0 111.15 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 99.43 0.75 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.709 2.273 . . . . 0.0 112.317 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 40.2 mt -111.86 100.19 8.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.919 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 18.8 m -55.24 98.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.3 tpm_? -150.73 120.72 3.7 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.593 0.711 . . . . 0.0 110.892 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -165.07 0.14 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.719 2.279 . . . . 0.0 112.342 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -73.85 111.73 9.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 29.6 ttt180 -165.01 164.13 20.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -53.29 146.63 11.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.619 ' CD2' ' CE2' ' A' ' 21' ' ' TYR . 7.5 tp -89.11 -48.19 7.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.936 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 32.4 t -65.39 -28.25 69.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 9.3 tpp85 -75.14 -43.61 51.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.845 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -63.27 -39.7 95.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.924 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -76.97 -40.21 47.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.3 t -44.15 -30.02 0.71 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.828 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.483 ' OD1' HG23 ' A' ' 44' ' ' VAL . 45.4 t0 -90.56 136.9 32.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.836 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -80.28 44.11 2.81 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.464 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.483 HG23 ' OD1' ' A' ' 42' ' ' ASP . 91.2 t -115.21 -39.96 2.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.84 0.352 . . . . 0.0 111.096 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.2 tp -77.77 -43.87 29.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.932 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 97.1 t -40.97 -38.57 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.122 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.538 ' HA ' HD12 ' A' ' 50' ' ' ILE . . . -61.88 -43.38 98.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.08 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -51.87 -45.88 64.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 98.4 t -53.9 -30.87 19.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.121 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.538 HD12 ' HA ' ' A' ' 47' ' ' ALA . 38.1 mt -72.05 -40.98 67.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.102 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.4 tppt? -41.55 -50.69 4.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 45.3 t80 -46.67 -43.09 17.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.836 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.611 ' CD2' HD13 ' A' ' 118' ' ' LEU . 81.9 m-85 -85.24 -65.96 0.95 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.957 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -124.9 120.9 25.52 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.629 0.728 . . . . 0.0 110.869 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -50.7 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.693 2.262 . . . . 0.0 112.346 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.437 ' N ' ' HD3' ' A' ' 56' ' ' LYS . 0.1 OUTLIER -54.32 -59.17 5.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.407 ' C ' ' O ' ' A' ' 56' ' ' LYS . 15.0 mtp -35.88 -40.95 0.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.408 ' CG1' ' HG3' ' A' ' 60' ' ' MET . 40.1 t -53.98 -71.85 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.139 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 49.78 50.51 18.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.855 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.416 ' HE3' HG13 ' A' ' 44' ' ' VAL . 11.2 mtp -78.89 48.82 0.86 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 65.7 t60 -106.34 -0.73 24.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.841 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -117.49 -26.02 6.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 74.2 m-85 -81.66 157.72 24.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.62 HG13 ' HD2' ' A' ' 65' ' ' PRO . 84.2 t -155.34 137.6 10.01 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.624 0.726 . . . . 0.0 111.106 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.62 ' HD2' HG13 ' A' ' 64' ' ' VAL . 53.5 Cg_endo -69.8 96.09 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.693 2.262 . . . . 0.0 112.32 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -101.51 154.09 19.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.086 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 18.8 t30 -88.25 -34.26 17.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.877 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 20.7 m -63.37 -178.83 0.28 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.406 HD23 ' C ' ' A' ' 69' ' ' LEU . 9.6 tt -101.3 -44.8 5.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.917 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 9.7 mm-40 -43.46 -42.71 4.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -68.24 -43.82 77.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 58.6 mmtt -43.31 -64.07 0.71 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.445 HD21 ' HA ' ' A' ' 97' ' ' ARG . 29.0 mt -59.3 -45.76 90.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 47.9 t -41.95 -50.73 4.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.876 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.414 ' O ' ' N ' ' A' ' 78' ' ' HIS . 93.0 m-20 -63.4 -61.93 2.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.889 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.405 ' C ' ' O ' ' A' ' 75' ' ' ASN . 43.1 m95 -37.73 -54.26 1.22 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.875 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -49.6 -39.0 29.69 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.531 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.414 ' N ' ' O ' ' A' ' 75' ' ' ASN . 3.2 t-160 -73.79 -33.3 64.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.86 0.362 . . . . 0.0 110.849 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 8.2 tp -72.87 -12.39 60.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.936 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.424 ' HA ' HD12 ' A' ' 84' ' ' LEU . 64.1 t-20 -73.44 -37.74 65.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 27.2 mtt85 -103.39 3.94 35.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 6.8 mmtp -110.95 -22.82 11.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 54.8 t -127.16 -72.83 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.138 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.424 HD12 ' HA ' ' A' ' 80' ' ' ASN . 40.9 mt -41.11 -65.9 0.38 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.935 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 14.1 tmtt? -42.65 -52.26 4.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 21.7 mmt180 -58.38 -34.47 70.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.425 HD23 ' HD2' ' A' ' 121' ' ' ARG . 17.0 mt -92.31 27.1 2.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 50.64 27.58 3.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -106.4 167.8 9.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.856 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 68.2 p -155.16 148.47 24.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.84 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 10.4 t -143.98 131.78 10.77 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.6 0.714 . . . . 0.0 111.14 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.488 ' HG2' HG23 ' A' ' 95' ' ' VAL . 53.5 Cg_endo -69.78 158.75 55.86 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.72 2.28 . . . . 0.0 112.332 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -72.91 -12.93 61.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.864 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -82.71 -31.5 28.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.488 HG23 ' HG2' ' A' ' 92' ' ' PRO . 21.2 t -78.11 -25.09 14.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.1 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 9.0 mtt -75.87 -49.93 16.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.445 ' HA ' HD21 ' A' ' 73' ' ' LEU . 36.0 mtm180 -51.51 -28.28 13.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 33.0 mttp -78.71 -57.14 3.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.85 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.454 HG23 ' HB ' ' A' ' 107' ' ' VAL . 84.6 mt -45.76 -56.82 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.139 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -60.77 -17.74 50.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.095 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 19.3 mm-40 -99.05 36.2 1.75 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 22.2 m 40.6 45.04 1.91 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.87 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.91 152.64 96.23 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.601 0.715 . . . . 0.0 111.082 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.445 ' O ' ' C ' ' A' ' 105' ' ' GLY . 53.5 Cg_endo -69.84 118.25 5.57 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.696 2.264 . . . . 0.0 112.335 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 104' ' ' PRO . . . 34.38 81.46 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.463 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 24.6 t -129.81 -48.44 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.859 0.361 . . . . 0.0 111.114 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.454 ' HB ' HG23 ' A' ' 99' ' ' ILE . 14.1 p -72.61 -21.67 19.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.131 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.441 ' HG2' ' CD2' ' A' ' 20' ' ' LEU . 0.6 OUTLIER -63.64 -44.63 93.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 63.2 mt -57.19 -21.62 34.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 19.7 t -92.04 -20.72 6.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.093 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 89.0 mt -75.03 -46.82 32.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.528 ' N ' ' HD2' ' A' ' 113' ' ' PRO . 2.7 mt -44.61 -58.01 5.88 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.558 0.694 . . . . 0.0 111.129 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.528 ' HD2' ' N ' ' A' ' 112' ' ' ILE . 53.8 Cg_endo -69.76 -27.57 26.31 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.69 2.26 . . . . 0.0 112.388 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 6.8 tp -53.03 -48.43 67.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 21.6 ptt180 -66.58 -40.93 89.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.826 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 -51.77 -33.37 34.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.933 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 120' ' ' GLU . 23.6 mmm180 -82.91 -56.86 3.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.611 HD13 ' CD2' ' A' ' 53' ' ' TYR . 41.2 mt -41.77 -39.51 1.76 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.935 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -77.45 -32.7 54.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 117' ' ' ARG . 1.5 tp10 -62.92 -24.42 67.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.855 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.425 ' HD2' HD23 ' A' ' 87' ' ' LEU . 37.5 mtt-85 -103.5 -27.07 12.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -54.58 -61.75 2.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.927 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -58.18 -44.04 87.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 32.6 mtp85 -52.4 112.83 0.88 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 35.3 ttt180 -95.28 94.53 7.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 5.6 mtpp -105.08 157.37 17.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.987 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.9 m -128.9 140.97 51.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.935 0.398 . . . . 0.0 110.87 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.4 p -101.34 172.15 7.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.878 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -90.07 -109.9 1.36 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.496 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 m 60.35 41.95 15.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.914 0.387 . . . . 0.0 110.904 -179.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.2 m -109.88 82.68 1.63 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.868 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 124.2 -39.55 2.13 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.489 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 9.5 ptm -73.45 -5.55 40.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.745 0.307 . . . . 0.0 110.857 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -124.58 128.33 48.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.092 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.0 t -94.85 -54.0 3.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.853 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.5 m -59.56 117.41 4.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 86.4 t -52.19 143.07 4.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.127 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -142.92 176.68 8.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.835 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.492 ' HA ' HD12 ' A' ' 17' ' ' LEU . 26.1 mt-10 -51.8 -35.26 43.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -61.97 -47.7 83.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.904 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.42 -52.89 63.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.164 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.492 HD12 ' HA ' ' A' ' 14' ' ' GLU . 31.6 mt -46.73 -55.97 6.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.47 ' CE1' HD11 ' A' ' 22' ' ' LEU . 15.5 t-80 -38.68 -50.86 1.66 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.852 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 40.9 mm-40 -46.02 -42.86 13.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.403 HD23 ' OE1' ' A' ' 108' ' ' GLU . 25.6 tp -67.49 -36.08 80.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.847 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -63.52 -56.51 15.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.935 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.47 HD11 ' CE1' ' A' ' 18' ' ' HIS . 49.0 mt -43.87 -54.52 5.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.935 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.538 ' CE2' ' HD2' ' A' ' 115' ' ' ARG . 6.2 t90 -39.98 -37.24 0.56 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.946 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 73.3 t -75.53 -42.71 42.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.424 ' OD1' ' C ' ' A' ' 25' ' ' ASP . 0.2 OUTLIER -52.58 -29.39 25.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.855 179.925 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -76.69 -46.23 26.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.493 HG23 ' HD2' ' A' ' 28' ' ' PRO . 93.1 mt -57.95 134.28 83.62 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.59 0.71 . . . . 0.0 111.151 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.493 ' HD2' HG23 ' A' ' 27' ' ' ILE . 54.1 Cg_endo -69.76 108.69 2.13 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.698 2.265 . . . . 0.0 112.369 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 15.8 mt -132.08 120.78 22.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.9 t -50.91 -25.35 4.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.418 ' HD2' ' CG ' ' A' ' 39' ' ' ASP . 33.6 ttp180 -45.52 134.82 5.97 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.58 0.705 . . . . 0.0 110.918 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -164.25 0.12 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.729 2.286 . . . . 0.0 112.328 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.5 mppt? -90.31 117.19 28.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 11.7 ttp180 -175.16 -178.36 1.18 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.853 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.429 ' HB2' ' CG ' ' A' ' 38' ' ' ARG . 19.2 m120 -55.14 169.68 0.24 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.468 HD22 ' HA ' ' A' ' 36' ' ' LEU . 1.0 OUTLIER -89.44 -61.46 1.69 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 179.93 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 7.1 t -54.46 -43.44 71.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.429 ' CG ' ' HB2' ' A' ' 35' ' ' ASN . 20.0 mmt85 -47.19 -36.69 9.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.865 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.418 ' CG ' ' HD2' ' A' ' 31' ' ' ARG . 5.9 m-20 -93.8 -63.13 1.23 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.863 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.44 ' O ' ' C ' ' A' ' 41' ' ' SER . 3.8 m-85 -41.76 -43.37 2.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 40' ' ' PHE . 60.4 p -34.74 -41.96 0.14 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.857 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.445 ' O ' ' C ' ' A' ' 43' ' ' GLY . 30.1 t0 -75.71 108.41 8.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.858 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 42' ' ' ASP . . . -34.34 -49.65 0.67 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.451 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 92.5 t -43.02 -53.83 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.904 0.383 . . . . 0.0 111.141 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -48.41 -57.07 6.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.912 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 61.6 t -48.43 -45.88 14.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.097 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -53.73 -38.1 63.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.11 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -60.78 -40.45 92.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 71.3 t -54.97 -25.0 15.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.125 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.403 ' HB ' HG22 ' A' ' 58' ' ' VAL . 24.3 mt -81.42 -40.09 17.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.116 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 15.0 tptm -42.3 -52.3 4.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -44.15 -52.75 7.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.613 ' CD2' HD13 ' A' ' 118' ' ' LEU . 58.1 m-85 -73.27 -63.88 1.09 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 -179.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -126.91 122.8 23.43 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.686 0.755 . . . . 0.0 110.863 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -49.53 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.687 2.258 . . . . 0.0 112.351 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.485 ' O ' ' N ' ' A' ' 58' ' ' VAL . 25.1 mmmt -56.04 -54.68 41.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 58.9 mmm -38.37 -26.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.485 ' N ' ' O ' ' A' ' 56' ' ' LYS . 59.6 t -92.25 136.84 23.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.141 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 17.4 mp0 -132.96 94.11 3.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 2.9 mmt -89.93 31.31 0.98 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -104.27 -42.73 5.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.588 ' OD1' ' CD1' ' A' ' 63' ' ' TYR . 11.2 p30 -89.71 -39.33 13.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.588 ' CD1' ' OD1' ' A' ' 62' ' ' ASN . 20.8 m-85 -67.43 148.77 51.13 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 10.9 t -147.2 131.94 8.84 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.628 0.727 . . . . 0.0 111.117 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 126.78 13.68 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.689 2.26 . . . . 0.0 112.351 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.435 ' CB ' ' HG2' ' A' ' 71' ' ' GLN . . . -143.42 174.8 10.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.061 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 46.1 p30 -126.61 20.14 7.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 11.8 m -118.05 139.54 51.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.814 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.433 ' O ' ' C ' ' A' ' 70' ' ' GLN . 4.0 mm? -48.09 -72.9 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.921 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' A' ' 69' ' ' LEU . 5.1 pt20 -34.45 -49.16 0.38 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.917 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.435 ' HG2' ' CB ' ' A' ' 66' ' ' ALA . 11.2 tp60 -59.06 -48.9 79.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 69' ' ' LEU . 17.6 mmtp -56.74 -58.56 7.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.625 HD21 ' HA ' ' A' ' 97' ' ' ARG . 43.4 mt -52.74 -42.13 64.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.89 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 6.4 t -53.36 -49.08 67.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -64.79 -58.23 6.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.94 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.429 ' CZ2' HG21 ' A' ' 99' ' ' ILE . 45.1 m95 -42.93 -51.72 5.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.948 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -44.17 -43.73 7.35 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.469 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 48.6 m170 -66.78 -45.8 77.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.835 0.35 . . . . 0.0 110.884 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.588 HD12 ' OH ' ' A' ' 63' ' ' TYR . 4.4 tp -58.77 -21.68 56.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.916 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.606 ' HA ' HD12 ' A' ' 84' ' ' LEU . 19.0 t-20 -75.0 -29.07 60.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 35.4 mtm180 -110.02 3.94 20.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.847 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 9.7 mmtp -115.05 -36.11 4.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.416 ' O ' ' C ' ' A' ' 84' ' ' LEU . 55.6 t -108.26 -74.38 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.148 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.606 HD12 ' HA ' ' A' ' 80' ' ' ASN . 61.9 mt -36.84 -58.23 0.77 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.927 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 84' ' ' LEU . 33.2 tptt -36.55 -56.38 0.81 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.812 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 15.4 mmp_? -58.7 -35.66 72.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.488 ' N ' ' O ' ' A' ' 84' ' ' LEU . 22.8 mt -86.71 27.84 0.94 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 38.88 34.75 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -107.4 167.73 9.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 44.0 p -156.18 141.32 17.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 13.1 t -142.4 131.54 12.0 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.647 0.737 . . . . 0.0 111.11 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.691 ' HG2' HG23 ' A' ' 95' ' ' VAL . 53.8 Cg_endo -69.79 159.91 51.66 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.684 2.256 . . . . 0.0 112.369 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -63.3 -36.36 83.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.863 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 -55.67 -57.18 13.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.691 HG23 ' HG2' ' A' ' 92' ' ' PRO . 71.9 t -57.03 -41.56 77.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.114 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.793 ' HA ' HD12 ' A' ' 99' ' ' ILE . 7.5 mtm -55.92 -47.38 77.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.625 ' HA ' HD21 ' A' ' 73' ' ' LEU . 13.1 mmt85 -47.26 -57.83 4.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 25.8 mttm -53.38 -46.55 69.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.917 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.793 HD12 ' HA ' ' A' ' 96' ' ' MET . 72.9 mt -49.77 -55.95 4.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.137 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -59.84 -19.16 49.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.063 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -90.61 26.93 1.86 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.959 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 19.7 p 39.01 49.16 1.55 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -85.5 125.09 70.5 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.599 0.714 . . . . 0.0 111.101 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 135.8 31.47 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.66 2.24 . . . . 0.0 112.39 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 86.96 -29.39 5.09 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.477 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 97.9 t -69.14 -74.27 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.876 0.37 . . . . 0.0 111.154 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 5.4 p -47.9 -23.92 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.096 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.704 ' HA ' HD12 ' A' ' 111' ' ' LEU . 30.2 mt-10 -66.06 -40.59 91.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.866 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 21.0 mt -56.02 -20.41 16.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.1 t -97.37 -28.07 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.153 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.704 HD12 ' HA ' ' A' ' 108' ' ' GLU . 23.9 mt -70.8 -49.76 43.01 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.531 HG22 ' N ' ' A' ' 113' ' ' PRO . 2.7 mt -44.86 -58.68 5.09 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.638 0.732 . . . . 0.0 111.124 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.531 ' N ' HG22 ' A' ' 112' ' ' ILE . 53.7 Cg_endo -69.74 -50.43 0.47 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.696 2.264 . . . . 0.0 112.327 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 8.0 tt -47.09 -51.48 17.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.885 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.538 ' HD2' ' CE2' ' A' ' 23' ' ' TRP . 35.5 ttp180 -59.4 -47.27 86.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -47.2 -33.44 5.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.466 ' HB3' HD22 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -74.79 -51.26 14.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.847 -179.879 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.613 HD13 ' CD2' ' A' ' 53' ' ' TYR . 59.3 mt -40.38 -47.34 2.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.932 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -60.8 -40.06 91.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 117' ' ' ARG . 20.7 tt0 -61.03 -44.32 97.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 7.5 mtt-85 -71.02 -37.2 72.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -49.74 -65.55 0.54 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.941 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.7 177.14 7.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.888 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 8.6 ptp180 -161.75 175.47 11.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 11.8 tpt180 -109.77 115.15 29.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.87 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . 0.451 ' HA ' ' CE ' ' A' ' 126' ' ' LYS . 0.2 OUTLIER -70.04 131.41 44.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 69.0 mt-30 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 179.975 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.471 -0.251 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.9 p -116.45 130.45 56.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.9 0.381 . . . . 0.0 110.844 -179.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.4 m -110.75 150.94 28.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.866 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.28 75.67 0.36 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.53 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.7 p -129.67 143.89 51.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.819 0.342 . . . . 0.0 110.92 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.9 m -94.21 42.15 1.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.36 90.47 0.86 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.496 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.3 ptm -165.66 150.53 8.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.741 0.305 . . . . 0.0 110.926 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 46.1 46.87 13.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.099 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 35.3 t -131.63 143.36 50.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.821 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.4 m -51.15 173.49 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.882 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 54.2 t -55.7 130.13 17.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.117 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -68.93 166.78 17.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -65.66 -48.51 71.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.433 ' HG3' ' N ' ' A' ' 16' ' ' ALA . 11.2 pt-20 -50.83 -45.56 59.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.869 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.433 ' N ' ' HG3' ' A' ' 15' ' ' GLU . . . -50.31 -54.79 18.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.125 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.405 ' C ' ' O ' ' A' ' 16' ' ' ALA . 44.3 mt -37.08 -56.49 0.9 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 19.9 t-160 -43.81 -56.38 3.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.825 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.677 ' HA ' HD12 ' A' ' 22' ' ' LEU . 48.3 mm-40 -42.75 -43.0 3.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.9 tp -68.5 -38.22 80.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -61.43 -30.92 70.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.905 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.677 HD12 ' HA ' ' A' ' 19' ' ' GLN . 14.4 mt -68.41 -55.92 10.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.946 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.492 ' CZ2' ' CG1' ' A' ' 49' ' ' VAL . 5.1 t90 -41.15 -53.88 3.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.605 ' HA ' HD12 ' A' ' 27' ' ' ILE . 75.4 t -67.52 -55.41 17.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.144 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -38.72 -39.9 0.55 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -64.04 -44.67 91.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.605 HD12 ' HA ' ' A' ' 24' ' ' VAL . 25.3 mt -62.09 121.57 66.73 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.61 0.719 . . . . 0.0 111.16 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 82.36 0.75 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.71 2.273 . . . . 0.0 112.326 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 95.3 mt -82.61 110.66 17.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.952 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 24.1 m -71.56 80.49 0.81 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.844 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.4 mmp_? -134.85 152.84 78.14 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.572 0.701 . . . . 0.0 110.877 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -165.78 0.16 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.659 2.239 . . . . 0.0 112.335 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -90.3 115.15 27.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.94 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.6 tpp180 -172.12 160.49 5.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 34.9 m120 -50.28 173.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 11.0 mp -83.57 -50.4 8.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.926 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 15.6 t -62.32 -45.16 94.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.843 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 35.1 mtp85 -48.48 -34.76 11.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.881 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.494 ' N ' ' OD1' ' A' ' 39' ' ' ASP . 0.2 OUTLIER -90.86 -63.48 1.26 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.438 ' O ' ' C ' ' A' ' 41' ' ' SER . 14.7 m-85 -37.6 -43.55 0.62 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 40' ' ' PHE . 60.0 p -35.54 -52.8 0.67 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.872 -179.802 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -72.35 125.59 27.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.911 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 44' ' ' VAL . . . -59.67 -44.67 96.69 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.508 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.418 ' C ' ' O ' ' A' ' 43' ' ' GLY . 78.9 t -35.79 -46.25 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.825 0.345 . . . . 0.0 111.1 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.479 HD22 ' HB3' ' A' ' 39' ' ' ASP . 59.5 tp -64.92 -50.19 67.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 96.2 t -47.27 -51.19 6.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.161 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.702 ' HA ' HD12 ' A' ' 50' ' ' ILE . . . -45.72 -48.79 15.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.095 179.823 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -46.0 -40.74 10.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.525 HG13 HD13 ' A' ' 27' ' ' ILE . 72.4 t -58.83 -36.76 62.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.152 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.702 HD12 ' HA ' ' A' ' 47' ' ' ALA . 9.8 mt -73.87 -39.26 51.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.151 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.599 ' HB3' ' HZ2' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -40.14 -54.34 2.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.853 179.859 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.424 ' HA ' ' HZ3' ' A' ' 51' ' ' LYS . 62.3 t80 -43.11 -37.86 2.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.924 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 55.5 m-85 -86.85 -39.77 15.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.911 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.438 ' HA ' ' HD2' ' A' ' 55' ' ' PRO . 62.8 m-85 -144.75 104.97 4.55 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.62 0.724 . . . . 0.0 110.875 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.438 ' HD2' ' HA ' ' A' ' 54' ' ' PHE . 53.6 Cg_endo -69.79 -29.43 23.72 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.663 2.242 . . . . 0.0 112.355 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.2 mtpp -71.35 -52.69 17.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.899 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 49.7 mmm -41.43 -52.18 3.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 39.1 t -68.43 129.22 32.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.182 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -132.19 86.03 2.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.484 ' O ' ' N ' ' A' ' 62' ' ' ASN . 9.7 mmt -65.51 -39.43 91.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.401 ' C ' ' O ' ' A' ' 60' ' ' MET . 41.8 m80 -38.02 -27.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.484 ' N ' ' O ' ' A' ' 60' ' ' MET . 26.3 m-80 -103.5 -64.4 1.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -50.73 141.93 12.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.919 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 16.9 t -143.95 133.01 11.35 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.636 0.732 . . . . 0.0 111.114 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 122.88 9.55 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.705 2.27 . . . . 0.0 112.322 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -113.49 171.78 7.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.111 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -123.59 14.35 9.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.95 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 69' ' ' LEU . 52.3 m -122.87 115.98 22.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.827 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.605 HD22 HE21 ' A' ' 101' ' ' GLN . 38.8 tp -35.89 -59.7 0.57 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.931 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.47 ' HG3' ' N ' ' A' ' 71' ' ' GLN . 5.8 pt20 -41.04 -52.38 3.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.47 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 41.1 tp60 -60.37 -52.72 64.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 10.7 mmmm -42.9 -65.17 0.51 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.764 HD21 ' HA ' ' A' ' 97' ' ' ARG . 18.3 mt -43.73 -44.23 6.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.945 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.8 t -51.21 -56.39 13.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -54.15 -56.67 15.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.888 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.435 ' CZ2' HG21 ' A' ' 99' ' ' ILE . 32.6 m95 -42.87 -42.06 3.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -51.79 -41.94 52.02 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.462 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -68.92 -54.08 17.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.79 0.329 . . . . 0.0 110.847 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 5.7 tp -53.39 -18.09 2.36 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.597 ' HA ' HD12 ' A' ' 84' ' ' LEU . 31.9 t-20 -76.2 -43.66 41.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 70.6 mtp180 -93.67 2.67 56.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 16.3 mmtt -111.33 -30.37 7.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 77.6 t -117.92 -74.4 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.123 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.597 HD12 ' HA ' ' A' ' 80' ' ' ASN . 38.9 mt -38.64 -52.94 1.65 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.1 mtpm? -56.37 -44.2 79.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 26.7 mmt85 -65.34 -20.49 66.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 12.9 mt -105.68 27.54 8.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 47.48 35.48 4.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -114.64 148.35 38.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 90.0 p -136.47 141.05 43.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 10.5 t -138.43 131.81 16.38 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.634 0.73 . . . . 0.0 111.106 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.645 ' HG2' HG23 ' A' ' 95' ' ' VAL . 53.6 Cg_endo -69.79 152.88 69.28 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.641 2.228 . . . . 0.0 112.354 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -64.11 -23.81 67.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.853 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -68.55 -34.43 75.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.645 HG23 ' HG2' ' A' ' 92' ' ' PRO . 39.6 t -75.67 -41.95 41.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.101 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.689 ' HA ' HD12 ' A' ' 99' ' ' ILE . 8.3 mtm -57.39 -44.38 84.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.764 ' HA ' HD21 ' A' ' 73' ' ' LEU . 32.1 mtm180 -53.92 -46.96 71.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.901 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.728 ' HB2' HG11 ' A' ' 106' ' ' VAL . 32.8 mttm -58.83 -46.73 87.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.689 HD12 ' HA ' ' A' ' 96' ' ' MET . 43.9 mt -53.25 -60.22 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.163 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -56.35 -19.24 13.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.059 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.605 HE21 HD22 ' A' ' 69' ' ' LEU . 30.8 mm-40 -90.25 21.8 3.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.91 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 13.3 p 42.98 41.96 2.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -91.34 114.31 61.28 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.553 0.692 . . . . 0.0 111.129 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 138.02 36.93 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.64 2.227 . . . . 0.0 112.324 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 97.95 -2.59 60.05 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.474 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.728 HG11 ' HB2' ' A' ' 98' ' ' LYS . 21.1 t -106.33 -66.08 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.896 0.379 . . . . 0.0 111.163 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.413 HG13 ' N ' ' A' ' 108' ' ' GLU . 7.1 p -49.52 -41.02 15.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.098 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.48 ' HA ' HD12 ' A' ' 111' ' ' LEU . 15.5 mp0 -52.64 -49.74 64.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 34.1 mt -47.74 -20.82 0.31 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.941 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 2.5 t -98.6 -28.59 3.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.126 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.48 HD12 ' HA ' ' A' ' 108' ' ' GLU . 50.8 mt -72.17 -38.47 69.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.527 ' N ' ' HD2' ' A' ' 113' ' ' PRO . 3.5 mt -51.91 -57.93 13.06 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.61 0.719 . . . . 0.0 111.154 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 112' ' ' ILE . 53.5 Cg_endo -69.79 -50.17 0.49 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.656 2.238 . . . . 0.0 112.391 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 113' ' ' PRO . 6.7 tp -37.29 -61.75 0.56 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.471 ' CZ ' ' HB2' ' A' ' 23' ' ' TRP . 33.6 ttt180 -53.68 -47.81 70.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 -52.8 -43.92 66.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.906 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 29.8 mmm180 -67.3 -52.67 37.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.565 HD21 HG23 ' A' ' 50' ' ' ILE . 21.7 mt -41.01 -54.2 2.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.949 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -42.04 -61.84 1.06 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.871 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.457 ' O ' ' CG ' ' A' ' 124' ' ' ARG . 29.5 tt0 -45.91 -37.01 5.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 8.0 mmt180 -77.61 -32.6 53.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.888 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 51.1 tp60 -60.54 -73.11 0.1 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.883 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -49.33 -39.74 32.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.841 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.457 ' CG ' ' O ' ' A' ' 120' ' ' GLU . 11.5 mmt180 -51.99 136.2 29.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.879 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -92.81 171.45 8.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 18.2 mmmt -95.71 160.86 14.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 10.6 tm0? . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 179.933 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.3 p -114.24 144.15 43.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.88 0.371 . . . . 0.0 110.829 -179.685 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 m -156.93 136.65 12.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.73 100.99 0.19 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.491 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.9 m -97.5 175.75 6.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.918 0.39 . . . . 0.0 110.835 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.6 p -131.76 143.73 50.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.87 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.54 120.83 0.64 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.448 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -111.33 140.99 45.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.813 0.339 . . . . 0.0 110.905 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -147.8 171.51 15.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.122 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.0 m -129.28 112.8 14.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.843 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 23.1 p -158.5 162.88 37.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 92.8 t -102.19 138.58 25.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.127 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.426 ' O ' ' N ' ' A' ' 16' ' ' ALA . 14.1 m-20 -154.13 168.29 26.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 13' ' ' ASP . 55.6 mt-10 -37.12 -36.26 0.13 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.901 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -64.54 -49.1 72.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.885 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -40.06 -44.54 1.79 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.094 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.3 mt -52.64 -59.71 4.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.966 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -45.81 -54.39 8.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 81.2 mm-40 -42.11 -48.89 4.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.425 HD21 ' HG3' ' A' ' 108' ' ' GLU . 6.9 tp -63.6 -41.14 98.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.935 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -61.55 -52.79 62.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.926 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 15.8 mt -56.5 -44.58 80.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.966 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 11.7 t90 -46.24 -35.96 5.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 59.1 t -66.53 -55.85 16.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.148 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -49.85 -43.31 48.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.847 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -43.21 -36.74 1.85 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.859 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.495 ' CG2' ' HD2' ' A' ' 28' ' ' PRO . 8.5 mt -75.54 136.82 71.05 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.662 0.744 . . . . 0.0 111.087 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.495 ' HD2' ' CG2' ' A' ' 27' ' ' ILE . 53.7 Cg_endo -69.79 8.73 0.71 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.648 2.232 . . . . 0.0 112.346 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.495 ' HG ' ' CG2' ' A' ' 27' ' ' ILE . 29.0 mt -29.61 101.41 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.911 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 31' ' ' ARG . 5.3 t -37.49 -51.49 1.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 30' ' ' SER . 20.8 ttt180 -35.44 136.53 0.44 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.597 0.713 . . . . 0.0 110.846 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -167.49 0.23 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.683 2.255 . . . . 0.0 112.347 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.465 ' CD ' ' N ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -97.71 133.66 41.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 179.93 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' A' ' 35' ' ' ASN . 10.3 ttm180 -174.82 171.85 3.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.837 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.444 ' C ' ' O ' ' A' ' 34' ' ' ARG . 0.1 OUTLIER -34.95 115.25 0.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.896 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.4 tp -66.64 -49.41 66.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.8 t -44.16 -48.16 9.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.842 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.406 ' O ' ' CB ' ' A' ' 41' ' ' SER . 3.6 tmm_? -73.21 -60.27 2.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.895 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -38.59 -61.15 0.74 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.562 ' HA ' HD23 ' A' ' 45' ' ' LEU . 7.4 m-85 -60.31 -38.62 84.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.844 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 40' ' ' PHE . 7.1 t -34.4 -37.7 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.887 -179.783 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.413 ' N ' ' O ' ' A' ' 40' ' ' PHE . 0.9 OUTLIER -84.62 97.86 9.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.855 179.941 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 44' ' ' VAL . . . -38.87 -42.89 1.61 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.499 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.69 HG13 ' CE ' ' A' ' 60' ' ' MET . 54.0 t -35.87 -40.54 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.804 0.335 . . . . 0.0 111.111 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.562 HD23 ' HA ' ' A' ' 40' ' ' PHE . 19.2 tp -73.31 -53.62 10.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 88.8 t -39.36 -43.97 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.167 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.468 ' HA ' HD12 ' A' ' 50' ' ' ILE . . . -58.12 -43.29 87.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.106 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -54.36 -50.92 66.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.907 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.467 HG13 HD13 ' A' ' 27' ' ' ILE . 97.4 t -46.87 -47.19 8.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.139 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.468 HD12 ' HA ' ' A' ' 47' ' ' ALA . 59.4 mt -52.02 -41.31 31.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.142 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.455 ' HA ' ' CG2' ' A' ' 58' ' ' VAL . 0.9 OUTLIER -38.73 -58.08 1.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.926 179.845 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.419 ' C ' ' O ' ' A' ' 51' ' ' LYS . 21.8 t80 -36.02 -54.57 0.77 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.527 ' CD2' ' HB3' ' A' ' 118' ' ' LEU . 51.9 m-85 -74.68 -59.1 2.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.927 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -135.16 116.84 12.33 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.64 0.733 . . . . 0.0 110.889 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -39.45 6.38 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.657 2.238 . . . . 0.0 112.331 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.9 ptpp? -63.3 -51.43 66.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.912 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.421 ' O ' ' C ' ' A' ' 58' ' ' VAL . 53.5 mmm -49.87 -43.68 49.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.541 HG12 ' H ' ' A' ' 60' ' ' MET . 55.1 t -34.59 -71.91 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.108 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 45.83 49.63 11.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.69 ' CE ' HG13 ' A' ' 44' ' ' VAL . 2.0 ppp? -83.52 -32.04 26.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.861 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.423 ' C ' ' O ' ' A' ' 60' ' ' MET . 13.8 t-80 -35.82 -60.25 0.54 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.859 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -39.82 -53.56 2.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -57.77 167.27 1.17 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.935 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.437 HG13 ' HD2' ' A' ' 65' ' ' PRO . 93.2 t -142.39 132.91 12.6 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.668 0.746 . . . . 0.0 111.112 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.437 ' HD2' HG13 ' A' ' 64' ' ' VAL . 53.5 Cg_endo -69.74 119.87 6.75 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.661 2.241 . . . . 0.0 112.317 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.435 ' CB ' ' HG3' ' A' ' 71' ' ' GLN . . . -124.77 169.95 11.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.118 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -121.55 28.83 7.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.3 m -125.49 154.15 42.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.837 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 13.9 tp -63.92 -64.45 0.89 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.905 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.464 ' HG3' ' N ' ' A' ' 71' ' ' GLN . 29.2 pt20 -38.25 -48.55 1.3 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.464 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 17.4 mm100 -51.5 -60.61 2.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.411 ' HE2' ' CG ' ' A' ' 42' ' ' ASP . 24.9 mmtp -38.3 -65.87 0.31 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 13.4 mt -45.97 -46.86 16.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.953 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.6 t -49.83 -48.3 50.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 22.0 m-20 -68.39 -59.05 3.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.9 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 41.9 m95 -44.25 -46.41 9.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -54.09 -50.01 57.05 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.53 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 49.2 m-70 -61.14 -46.82 88.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.849 0.357 . . . . 0.0 110.884 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.6 tp -57.43 -23.87 52.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.551 ' CG ' HD12 ' A' ' 84' ' ' LEU . 36.8 t-20 -72.54 -28.15 62.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.846 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 32.1 mmt180 -108.55 1.93 21.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 18.7 mttp -113.99 -35.04 5.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.41 ' O ' ' C ' ' A' ' 84' ' ' LEU . 72.2 t -109.42 -72.27 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.107 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.551 HD12 ' CG ' ' A' ' 80' ' ' ASN . 73.2 mt -37.29 -55.61 1.01 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.937 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 22.9 tttm -44.37 -49.76 9.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.938 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 31.2 mmt180 -60.63 -30.25 69.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 13.1 mt -97.08 28.36 3.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 44.57 28.4 0.32 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -104.62 142.86 33.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 6.3 m -139.24 141.25 37.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.851 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.436 HG13 ' HD2' ' A' ' 92' ' ' PRO . 93.7 t -140.69 133.09 14.35 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.683 0.754 . . . . 0.0 111.104 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.729 ' HG2' HG23 ' A' ' 95' ' ' VAL . 53.7 Cg_endo -69.72 146.46 60.49 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 122.69 2.26 . . . . 0.0 112.39 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -50.93 -39.5 54.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.837 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 52.1 m-20 -50.34 -55.05 17.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.855 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.729 HG23 ' HG2' ' A' ' 92' ' ' PRO . 85.6 t -58.4 -39.23 73.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.15 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 15.0 mtm -63.41 -46.54 85.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 48.1 mtp180 -50.07 -36.51 29.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.63 ' HZ2' HG21 ' A' ' 106' ' ' VAL . 3.5 mtpm? -74.48 -46.36 40.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.918 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 72.9 mt -47.7 -55.33 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.116 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.72 -29.72 64.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.104 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -77.99 9.12 3.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 11.1 m 62.29 45.57 6.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -73.52 121.15 84.43 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.625 0.726 . . . . 0.0 111.094 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 104.62 1.34 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.658 2.239 . . . . 0.0 112.357 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 118.38 -57.55 0.54 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.498 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.63 HG21 ' HZ2' ' A' ' 98' ' ' LYS . 47.0 t -41.9 -53.71 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.839 0.352 . . . . 0.0 111.08 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.507 HG13 ' N ' ' A' ' 108' ' ' GLU . 14.8 p -59.46 -45.59 93.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.11 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.507 ' N ' HG13 ' A' ' 107' ' ' VAL . 7.5 mp0 -55.85 -48.23 75.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.816 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 56.7 mt -50.59 -18.52 0.7 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 24.9 t -100.33 -27.79 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 81.5 mt -73.69 -35.19 65.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.944 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.525 ' N ' ' HD2' ' A' ' 113' ' ' PRO . 3.7 mt -55.11 -57.86 17.75 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.62 0.724 . . . . 0.0 111.136 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.525 ' HD2' ' N ' ' A' ' 112' ' ' ILE . 54.1 Cg_endo -69.76 -37.34 9.31 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.715 2.277 . . . . 0.0 112.354 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 67.4 tp -44.0 -56.53 3.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.938 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.649 ' HA ' HD12 ' A' ' 118' ' ' LEU . 31.7 ttt180 -60.62 -49.05 79.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -46.97 -44.65 20.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 25.8 mmm180 -64.58 -54.97 23.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.851 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.649 HD12 ' HA ' ' A' ' 115' ' ' ARG . 27.8 mt -40.27 -41.86 1.41 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -68.24 -44.25 76.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -45.09 -43.02 9.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.407 ' O ' ' C ' ' A' ' 122' ' ' GLN . 30.3 mtp180 -68.06 -42.46 80.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.809 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 121' ' ' ARG . 29.2 tt0 -37.54 -52.15 1.18 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.89 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.458 ' O ' ' C ' ' A' ' 124' ' ' ARG . 16.2 ptt85 -83.62 -45.48 13.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.458 ' C ' ' O ' ' A' ' 123' ' ' ARG . 1.9 ttt-85 -33.66 -52.16 0.4 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.912 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 35.0 ptt85 -95.75 146.09 24.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.861 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 2.3 mtpm? -53.19 134.64 38.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.845 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 179.94 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.7 m -160.91 176.98 10.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.84 0.353 . . . . 0.0 110.84 -179.71 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 t -165.35 174.41 10.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.862 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.37 169.37 26.41 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.506 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.4 p -121.19 119.75 33.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.867 0.365 . . . . 0.0 110.844 -179.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.4 m -140.3 157.42 45.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.881 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.85 77.01 0.25 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.509 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 41.2 ttm -130.37 87.56 2.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.83 0.348 . . . . 0.0 110.89 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.39 131.52 50.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.08 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 21.0 t -167.04 145.98 5.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.836 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 49.7 m -45.41 169.35 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 84.3 t -51.4 144.69 2.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.058 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.4 p30 -147.82 168.91 20.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.822 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -45.47 -43.26 11.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -58.29 -46.73 85.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -43.62 -44.98 6.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.117 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.407 ' O ' ' C ' ' A' ' 18' ' ' HIS . 27.5 mt -58.22 -59.17 5.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.892 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.407 ' C ' ' O ' ' A' ' 17' ' ' LEU . 7.2 t-160 -36.07 -54.04 0.78 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.839 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 87.6 mm-40 -38.71 -54.22 1.59 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.429 ' CD2' ' HG3' ' A' ' 108' ' ' GLU . 3.6 tp -60.08 -42.52 94.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -57.15 -53.04 62.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.913 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 64.0 mt -53.43 -54.83 31.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.941 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.516 ' CH2' ' HB3' ' A' ' 115' ' ' ARG . 5.5 t90 -39.94 -38.11 0.66 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.438 ' O ' ' C ' ' A' ' 25' ' ' ASP . 84.5 t -58.06 -57.7 9.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.121 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 24' ' ' VAL . 15.5 t0 -34.44 -52.49 0.49 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.852 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -43.46 -56.45 3.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 96.6 mt -69.4 123.55 88.62 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.632 0.73 . . . . 0.0 111.135 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 117.86 5.34 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.662 2.241 . . . . 0.0 112.383 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 14.9 mt -133.21 123.4 25.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.941 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 59.9 m -77.11 92.09 3.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.828 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 11.0 ptt180 -147.71 148.68 31.34 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.594 0.711 . . . . 0.0 110.861 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 143.86 52.13 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.733 2.289 . . . . 0.0 112.332 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.61 53.36 1.64 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.1 mmm180 -111.42 -46.14 3.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.438 ' OD1' ' NH2' ' A' ' 38' ' ' ARG . 8.3 m120 -139.6 118.77 12.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.404 ' C ' HD23 ' A' ' 36' ' ' LEU . 9.7 tt -80.26 -45.88 17.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.92 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 47.9 t -56.61 -49.12 75.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.85 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.438 ' NH2' ' OD1' ' A' ' 35' ' ' ASN . 4.4 mtm105 -68.01 -42.24 81.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.843 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 -53.77 -45.12 70.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.438 ' O ' ' C ' ' A' ' 41' ' ' SER . 11.4 m-85 -79.26 -48.3 14.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.846 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 40' ' ' PHE . 47.8 p -34.3 -38.69 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.901 -179.816 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -78.44 124.62 28.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.835 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -60.41 -37.87 93.86 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.453 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.536 HG13 ' CE ' ' A' ' 60' ' ' MET . 54.8 t -40.43 -44.23 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.901 0.381 . . . . 0.0 111.146 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 30.6 tp -67.76 -49.39 62.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.407 HG21 ' CH2' ' A' ' 76' ' ' TRP . 81.1 t -48.3 -33.8 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.124 179.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.501 ' HB1' HG13 ' A' ' 58' ' ' VAL . . . -61.92 -50.12 73.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.122 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -48.62 -47.99 39.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.853 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 86.1 t -48.27 -43.05 11.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.119 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.408 ' O ' ' C ' ' A' ' 51' ' ' LYS . 49.6 mt -63.79 -39.74 86.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.131 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.667 ' HD2' HG21 ' A' ' 58' ' ' VAL . 24.1 tptt -36.19 -58.29 0.68 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.911 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.417 ' C ' ' CD1' ' A' ' 52' ' ' PHE . 9.5 t80 -39.36 -46.1 1.56 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.516 ' CG ' ' HB3' ' A' ' 118' ' ' LEU . 90.1 m-85 -86.06 -65.65 0.99 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.92 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.403 ' HA ' ' HD2' ' A' ' 55' ' ' PRO . 57.6 m-85 -124.08 105.39 31.77 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.681 0.753 . . . . 0.0 110.869 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 54' ' ' PHE . 53.5 Cg_endo -69.76 -44.37 2.12 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.661 2.241 . . . . 0.0 112.303 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.401 ' HG3' ' N ' ' A' ' 57' ' ' MET . 10.1 ptpp? -56.89 -45.02 82.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.845 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.422 ' O ' ' C ' ' A' ' 58' ' ' VAL . 39.4 mmm -56.64 -43.37 80.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.9 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.667 HG21 ' HD2' ' A' ' 51' ' ' LYS . 80.9 t -36.05 -62.41 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.114 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 55.89 45.25 24.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.935 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.536 ' CE ' HG13 ' A' ' 44' ' ' VAL . 0.0 OUTLIER -63.17 -50.41 70.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -44.18 -33.36 1.51 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -67.67 -54.15 21.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.918 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.504 ' CZ ' HD12 ' A' ' 79' ' ' LEU . 62.5 m-85 -75.74 165.72 24.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 73.7 t -146.75 130.18 8.22 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.658 0.742 . . . . 0.0 111.083 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 150.84 68.84 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.691 2.26 . . . . 0.0 112.346 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.419 ' HB2' ' HG2' ' A' ' 71' ' ' GLN . . . -149.93 177.64 9.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.062 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -96.91 -47.94 5.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.4 t -67.92 160.44 28.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.444 ' O ' ' C ' ' A' ' 70' ' ' GLN . 27.0 mt -75.92 -44.72 38.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.899 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.444 ' C ' ' O ' ' A' ' 69' ' ' LEU . 82.4 mt-30 -34.76 -49.91 0.44 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.419 ' HG2' ' HB2' ' A' ' 66' ' ' ALA . 47.0 tp60 -65.47 -55.85 15.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 7.6 mmpt? -38.14 -59.62 0.84 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.904 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.458 ' HG ' ' CB ' ' A' ' 100' ' ' ALA . 17.1 mt -55.51 -49.51 72.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.914 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 32.4 t -44.5 -51.75 8.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.878 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -61.89 -53.13 60.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.407 ' CH2' HG21 ' A' ' 46' ' ' VAL . 38.8 m95 -47.6 -50.47 24.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.903 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -49.81 -53.28 22.52 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.48 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.498 ' O ' ' CG ' ' A' ' 82' ' ' LYS . 19.6 m-70 -58.1 -32.3 67.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.802 0.334 . . . . 0.0 110.824 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.504 HD12 ' CZ ' ' A' ' 63' ' ' TYR . 2.2 tp -67.33 -23.77 65.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.946 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.498 ' CG ' HD12 ' A' ' 84' ' ' LEU . 36.0 t-20 -72.77 -29.47 63.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 57.0 mtp180 -109.85 2.58 19.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.835 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.498 ' CG ' ' O ' ' A' ' 78' ' ' HIS . 5.2 mmpt? -114.01 -28.71 7.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.907 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.444 ' O ' ' C ' ' A' ' 84' ' ' LEU . 60.7 t -123.0 -70.01 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.106 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.498 HD12 ' CG ' ' A' ' 80' ' ' ASN . 45.5 mt -34.56 -61.67 0.38 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.954 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 56.9 tttt -41.22 -55.41 2.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.94 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 16.9 mmt180 -48.83 -35.02 13.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 10.3 mt -98.2 31.31 2.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 7.1 m120 40.15 36.65 0.33 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.879 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -105.49 139.19 40.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 17.1 m -130.3 139.23 50.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.841 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 93.5 t -143.52 128.08 9.55 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.626 0.727 . . . . 0.0 111.124 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.819 ' HG2' HG23 ' A' ' 95' ' ' VAL . 53.0 Cg_endo -69.81 139.72 40.73 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.726 2.284 . . . . 0.0 112.308 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -42.22 -41.49 2.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -48.0 -54.01 14.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.882 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.819 HG23 ' HG2' ' A' ' 92' ' ' PRO . 91.3 t -56.21 -43.54 76.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.168 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.426 ' HA ' HD12 ' A' ' 99' ' ' ILE . 5.8 mtt -58.08 -46.0 86.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 44.6 mtm180 -48.1 -46.81 34.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.836 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.61 ' HB2' HG11 ' A' ' 106' ' ' VAL . 47.4 mttm -61.2 -57.7 11.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.872 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.426 HD12 ' HA ' ' A' ' 96' ' ' MET . 72.3 mt -41.14 -57.34 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.119 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.458 ' CB ' ' HG ' ' A' ' 73' ' ' LEU . . . -55.08 -28.01 49.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.084 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 98' ' ' LYS . 5.2 mm-40 -85.65 32.41 0.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . 0.435 ' C ' ' O ' ' A' ' 101' ' ' GLN . 29.3 p 35.35 50.26 0.53 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -89.73 119.9 69.47 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.551 0.691 . . . . 0.0 111.087 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 139.36 39.99 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.723 2.282 . . . . 0.0 112.337 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 88.3 -32.98 4.21 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.444 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.61 HG11 ' HB2' ' A' ' 98' ' ' LYS . 57.8 t -63.06 -64.3 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.849 0.357 . . . . 0.0 111.182 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 9.6 p -56.8 -32.21 37.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.096 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.429 ' HG3' ' CD2' ' A' ' 20' ' ' LEU . 8.4 mp0 -56.82 -46.37 81.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 16.7 mt -49.81 -29.12 7.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.953 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 90.3 t -94.87 -24.6 4.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.139 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 67.7 mt -69.61 -41.17 76.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.535 ' N ' ' HD2' ' A' ' 113' ' ' PRO . 4.3 mt -52.61 -57.6 15.13 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.64 0.733 . . . . 0.0 111.132 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.535 ' HD2' ' N ' ' A' ' 112' ' ' ILE . 53.9 Cg_endo -69.8 -24.47 29.48 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.678 2.252 . . . . 0.0 112.362 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 14.1 tp -55.01 -70.76 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.677 ' HA ' HD12 ' A' ' 118' ' ' LEU . 12.0 ptt85 -46.4 -48.55 18.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 36.3 mm-40 -44.07 -53.08 6.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.907 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -63.87 -44.96 91.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.677 HD12 ' HA ' ' A' ' 115' ' ' ARG . 79.5 mt -49.33 -55.33 13.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -68.3 -40.99 81.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -47.3 -49.65 23.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 41.7 mtp85 -70.66 -46.23 63.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.842 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -38.24 -69.73 0.11 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 3.7 ptm180 -53.67 174.49 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.876 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 41.9 mtt85 -154.34 171.83 18.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.848 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 21.4 mmt180 -62.16 161.64 10.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.92 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 127' ' ' GLN . 41.4 mmtt -133.81 176.68 8.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 126' ' ' LYS . 24.2 tt0 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.969 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.8 t -139.03 155.31 48.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.866 0.365 . . . . 0.0 110.843 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.7 p -124.3 158.57 32.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.865 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -106.19 -141.94 10.66 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.459 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -99.42 106.48 18.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.908 0.385 . . . . 0.0 110.835 -179.704 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 t -71.73 -44.4 64.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.877 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.5 -172.99 41.76 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.475 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -132.19 175.73 9.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.792 0.33 . . . . 0.0 110.865 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -133.31 171.85 13.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.048 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 34.3 t -146.43 122.63 10.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.8 m -170.92 155.21 4.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.838 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.621 HG12 ' O ' ' A' ' 12' ' ' VAL . 22.0 t 68.31 36.85 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.1 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.445 ' O ' ' C ' ' A' ' 14' ' ' GLU . 7.1 m-20 -56.28 168.37 0.54 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.906 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 13' ' ' ASP . 2.6 mp0 -34.72 -50.65 0.47 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -48.71 -51.24 29.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.865 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.467 ' CB ' ' HA ' ' A' ' 12' ' ' VAL . . . -59.76 -47.66 84.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.071 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.447 ' O ' ' C ' ' A' ' 18' ' ' HIS . 44.6 mt -55.22 -56.46 19.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.936 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.521 ' CE1' HD11 ' A' ' 22' ' ' LEU . 12.2 t-80 -34.7 -57.16 0.53 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.83 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.428 ' C ' ' O ' ' A' ' 18' ' ' HIS . 61.2 mm-40 -35.68 -50.09 0.61 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.526 HD12 ' HE3' ' A' ' 23' ' ' TRP . 4.2 tp -64.89 -52.58 55.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.926 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.713 ' CE2' HD13 ' A' ' 36' ' ' LEU . 13.2 m-85 -44.52 -39.44 4.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.948 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.521 HD11 ' CE1' ' A' ' 18' ' ' HIS . 33.6 mt -63.69 -50.55 68.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.907 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.526 ' HE3' HD12 ' A' ' 20' ' ' LEU . 17.0 t90 -55.49 -62.04 1.94 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.958 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 91.8 t -44.0 -48.27 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.15 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -45.87 -51.69 12.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.845 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -48.36 -54.11 15.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 86.6 mt -59.9 112.17 4.98 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.603 0.716 . . . . 0.0 111.148 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 112.73 3.15 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.662 2.242 . . . . 0.0 112.362 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 14.7 mt -128.19 122.87 32.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 26.8 t -65.76 91.37 0.13 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.826 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.437 ' NH1' ' HB3' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -173.43 143.98 1.07 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.636 0.731 . . . . 0.0 110.852 -179.947 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.497 ' O ' ' N ' ' A' ' 34' ' ' ARG . 53.6 Cg_endo -69.71 3.86 2.51 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.674 2.249 . . . . 0.0 112.374 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.487 ' C ' ' O ' ' A' ' 32' ' ' PRO . 0.0 OUTLIER 30.27 39.4 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 179.904 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.497 ' N ' ' O ' ' A' ' 32' ' ' PRO . 0.1 OUTLIER -46.78 -31.28 2.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.852 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.416 ' N ' ' HG2' ' A' ' 34' ' ' ARG . 19.3 m120 -155.2 121.17 5.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.713 HD13 ' CE2' ' A' ' 21' ' ' TYR . 7.9 tt -65.39 -32.46 74.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.7 t -75.95 -44.3 40.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.834 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.403 ' O ' ' C ' ' A' ' 39' ' ' ASP . 22.8 ttp180 -73.99 -63.76 1.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.831 ' OD1' HD22 ' A' ' 45' ' ' LEU . 13.0 t0 -37.34 -58.62 0.82 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.884 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.449 ' O ' ' C ' ' A' ' 41' ' ' SER . 12.0 m-85 -60.23 -44.91 94.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.449 ' C ' ' O ' ' A' ' 40' ' ' PHE . 11.8 t -34.41 -39.49 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.445 ' O ' ' C ' ' A' ' 43' ' ' GLY . 7.8 m-20 -79.36 88.47 4.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.845 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 42' ' ' ASP . . . -34.18 -43.72 0.35 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.515 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.406 ' C ' ' O ' ' A' ' 43' ' ' GLY . 86.2 t -36.83 -48.23 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.82 0.343 . . . . 0.0 111.076 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.831 HD22 ' OD1' ' A' ' 39' ' ' ASP . 7.0 tp -67.76 -47.95 67.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.901 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 87.3 t -39.83 -54.49 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.129 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.413 ' HB3' ' SD ' ' A' ' 60' ' ' MET . . . -40.67 -45.93 2.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.127 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -50.58 -47.93 57.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.852 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 84.3 t -46.22 -55.48 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.145 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.462 ' CD1' HG11 ' A' ' 83' ' ' VAL . 42.4 mt -47.84 -43.71 10.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.152 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.461 ' N ' HG21 ' A' ' 58' ' ' VAL . 0.1 OUTLIER -36.73 -59.91 0.65 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 179.851 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.402 ' C ' ' O ' ' A' ' 51' ' ' LYS . 24.7 t80 -36.94 -41.97 0.37 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.847 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -82.93 -59.2 2.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.933 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.428 ' CZ ' ' HB3' ' A' ' 121' ' ' ARG . 47.0 m-85 -131.09 114.59 16.29 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.634 0.73 . . . . 0.0 110.91 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -50.6 0.46 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.696 2.264 . . . . 0.0 112.357 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 57' ' ' MET . 51.4 mttp -54.65 -61.72 2.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.422 ' C ' ' O ' ' A' ' 56' ' ' LYS . 39.3 mmm -36.09 -44.34 0.38 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.926 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.461 HG21 ' N ' ' A' ' 51' ' ' LYS . 91.5 t -72.58 102.26 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.116 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -104.27 55.96 0.72 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.413 ' HG2' ' CG1' ' A' ' 58' ' ' VAL . 79.1 mmm -57.62 -174.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 12.9 t-80 71.78 25.01 3.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.874 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.401 ' OD1' ' C ' ' A' ' 62' ' ' ASN . 0.9 OUTLIER -133.1 -38.17 0.97 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 -179.924 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.442 ' OH ' ' N ' ' A' ' 79' ' ' LEU . 14.2 m-85 -69.4 173.63 5.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 71.7 t -137.57 127.12 15.23 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.63 0.729 . . . . 0.0 111.147 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 155.89 64.93 Favored 'Trans proline' 0 N--CA 1.465 -0.159 0 C-N-CA 122.749 2.299 . . . . 0.0 112.362 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -165.49 179.61 6.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.1 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -129.2 -40.44 1.47 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 34.0 m -53.23 177.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.847 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.766 HD11 ' HG2' ' A' ' 101' ' ' GLN . 17.3 tp -89.08 -58.07 2.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.921 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -40.31 -46.24 2.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.419 ' O ' ' C ' ' A' ' 72' ' ' LYS . 34.9 tp60 -62.55 -59.48 4.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -36.07 -67.66 0.16 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.77 HD21 ' HA ' ' A' ' 97' ' ' ARG . 14.4 mt -41.61 -42.35 2.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.902 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.4 t -53.19 -50.85 63.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.84 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -60.96 -58.94 6.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.499 ' CZ2' HG21 ' A' ' 99' ' ' ILE . 33.3 m95 -48.81 -52.42 24.14 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -47.73 -46.95 24.74 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.455 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 29.5 m170 -65.83 -56.17 13.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.82 0.343 . . . . 0.0 110.85 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.442 ' N ' ' OH ' ' A' ' 63' ' ' TYR . 2.1 tp -52.08 -17.19 0.96 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.92 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.581 ' HA ' HD12 ' A' ' 84' ' ' LEU . 29.7 t30 -74.19 -41.2 61.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 27.4 mtm180 -106.21 -3.87 20.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 18.9 mmmt -99.34 -37.79 9.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.462 HG11 ' CD1' ' A' ' 50' ' ' ILE . 64.0 t -113.07 -75.19 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.136 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.581 HD12 ' HA ' ' A' ' 80' ' ' ASN . 83.1 mt -37.02 -48.26 0.77 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.948 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 84' ' ' LEU . 0.2 OUTLIER -37.03 -50.93 0.92 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.926 179.814 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 13.4 mmt180 -59.32 -37.96 79.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.489 ' N ' ' O ' ' A' ' 84' ' ' LEU . 20.4 mt -84.32 30.14 0.55 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.914 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 8.9 m120 37.03 38.64 0.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -114.8 124.83 52.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 46.3 m -120.38 141.67 49.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.844 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 95.1 t -136.57 128.48 17.08 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.647 0.737 . . . . 0.0 111.14 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 143.44 50.88 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.7 2.266 . . . . 0.0 112.378 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -43.62 -33.83 1.29 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.91 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -53.06 -60.64 3.03 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.817 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 76.1 t -61.03 -39.89 83.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.169 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 10.2 mtm -57.69 -47.83 81.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.87 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.77 ' HA ' HD21 ' A' ' 73' ' ' LEU . 83.6 mtt180 -49.57 -61.16 2.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' A' ' 101' ' ' GLN . 30.9 mttm -48.39 -57.24 6.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.499 HG21 ' CZ2' ' A' ' 76' ' ' TRP . 94.6 mt -41.43 -58.74 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.4 -26.17 60.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.123 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.766 ' HG2' HD11 ' A' ' 69' ' ' LEU . 26.8 mt-30 -87.28 31.37 0.73 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . 0.446 ' C ' ' O ' ' A' ' 101' ' ' GLN . 22.0 t 34.43 41.82 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.451 ' HB3' HG21 ' A' ' 106' ' ' VAL . . . -71.2 143.99 89.12 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.523 0.677 . . . . 0.0 111.128 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.467 ' O ' HG23 ' A' ' 106' ' ' VAL . 53.8 Cg_endo -69.75 140.98 44.07 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.666 2.244 . . . . 0.0 112.358 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 44.07 60.52 3.47 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.502 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 104' ' ' PRO . 44.0 t -132.55 -64.43 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.89 0.376 . . . . 0.0 111.139 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 8.8 p -58.69 -32.86 47.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.132 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.43 ' HG3' ' CD2' ' A' ' 20' ' ' LEU . 15.1 mp0 -55.02 -45.8 75.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 11.1 mt -44.2 -30.89 0.85 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.912 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 48.6 t -92.88 -28.37 4.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.16 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 90.7 mt -70.71 -36.39 73.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.515 ' N ' ' HD2' ' A' ' 113' ' ' PRO . 3.7 mt -57.25 -58.0 21.03 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.629 0.728 . . . . 0.0 111.153 179.821 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.515 ' HD2' ' N ' ' A' ' 112' ' ' ILE . 54.2 Cg_endo -69.76 -21.87 32.87 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.678 2.252 . . . . 0.0 112.348 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 17.7 tp -51.36 -69.87 0.1 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.912 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.449 ' HA ' HD12 ' A' ' 118' ' ' LEU . 23.7 ptt180 -47.47 -48.0 27.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -45.56 -61.12 1.82 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 15.2 mmp_? -57.79 -50.72 72.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.461 HD23 HD21 ' A' ' 87' ' ' LEU . 34.5 mt -47.56 -41.76 22.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.947 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -54.78 -49.01 71.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -63.21 -35.59 80.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.428 ' HB3' ' CZ ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -64.15 -29.79 70.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.832 -179.935 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 18.8 tp60 -54.81 -47.45 74.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 4.6 ptm180 -90.98 -44.49 9.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.885 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 22.2 mtm180 64.06 48.7 2.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.87 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? 57.94 41.28 24.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 38.8 mttm -139.44 126.59 21.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.897 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 11.1 tm0? . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.893 179.951 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.0 m -97.77 81.09 2.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.903 0.382 . . . . 0.0 110.854 -179.7 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.1 m -165.02 163.58 20.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.864 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.56 78.39 0.27 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.515 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.2 p -137.4 168.64 19.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.89 0.376 . . . . 0.0 110.839 -179.708 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.5 p -48.49 168.94 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.839 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -48.47 171.43 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.441 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.434 ' O ' ' C ' ' A' ' 9' ' ' ALA . 6.3 ttt -174.64 138.8 0.52 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.787 0.327 . . . . 0.0 110.899 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 8' ' ' MET . . . -34.67 147.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.117 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.0 m -148.07 156.2 42.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.876 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 49.7 m -84.12 175.65 9.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.911 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 88.5 t -67.4 143.69 15.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.094 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -135.14 171.22 14.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.858 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -51.36 -43.78 61.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -60.94 -47.85 84.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -48.32 -62.47 1.47 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.123 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 18' ' ' HIS . 19.3 mt -43.24 -51.22 6.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.873 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.443 ' C ' ' O ' ' A' ' 17' ' ' LEU . 5.6 t-160 -34.44 -59.18 0.46 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.638 ' HA ' HD12 ' A' ' 22' ' ' LEU . 1.5 mp0 -38.28 -53.72 1.46 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.938 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.631 HD12 ' HE3' ' A' ' 23' ' ' TRP . 9.0 tp -60.93 -54.99 38.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.935 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -47.6 -40.2 18.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.638 HD12 ' HA ' ' A' ' 19' ' ' GLN . 6.5 mt -66.78 -56.6 9.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.934 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.7 ' CD1' ' CZ ' ' A' ' 115' ' ' ARG . 7.5 t90 -40.6 -41.51 1.49 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 44.0 t -65.24 -47.14 88.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.184 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.412 ' OD1' ' C ' ' A' ' 25' ' ' ASP . 0.6 OUTLIER -54.61 -30.78 55.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.872 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.417 ' ND2' ' O ' ' A' ' 22' ' ' LEU . 29.2 m-80 -62.77 -53.58 52.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.67 HG23 ' HD2' ' A' ' 28' ' ' PRO . 59.9 mt -63.68 138.45 97.38 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.658 0.742 . . . . 0.0 111.167 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.67 ' HD2' HG23 ' A' ' 27' ' ' ILE . 54.2 Cg_endo -69.66 108.51 2.08 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.711 2.274 . . . . 0.0 112.414 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' ' 31' ' ' ARG . 36.0 mt -134.94 96.2 3.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.989 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.1 m -63.1 77.73 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.837 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.424 ' N ' ' O ' ' A' ' 29' ' ' LEU . 2.5 mmp_? -135.24 146.12 56.82 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.629 0.728 . . . . 0.0 110.878 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -167.33 0.22 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.726 2.284 . . . . 0.0 112.359 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.59 51.85 2.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.868 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -100.42 -36.17 9.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.867 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 30.4 m120 -155.63 111.72 3.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.932 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.518 ' C ' HD23 ' A' ' 36' ' ' LEU . 8.6 tt -74.28 -62.92 1.35 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.943 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.441 ' N ' HD23 ' A' ' 36' ' ' LEU . 14.8 t -43.54 -50.0 7.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.447 ' O ' ' N ' ' A' ' 41' ' ' SER . 57.2 ttp85 -61.07 -62.48 1.82 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.465 ' O ' HD23 ' A' ' 45' ' ' LEU . 21.8 t70 -36.09 -43.75 0.35 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -76.06 -40.31 53.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 38' ' ' ARG . 13.4 m -43.68 -24.29 0.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.82 -179.795 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.26 94.15 6.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -41.43 -34.43 1.07 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.49 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 62.5 t -53.43 -51.95 36.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.882 0.372 . . . . 0.0 111.158 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.465 HD23 ' O ' ' A' ' 39' ' ' ASP . 34.7 tp -59.55 -38.78 81.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.91 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 88.7 t -56.7 -30.73 33.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.123 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.444 ' CB ' ' HE3' ' A' ' 60' ' ' MET . . . -64.69 -40.79 95.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.131 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 91.5 mt-10 -55.45 -46.59 76.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 24.5 t -50.48 -34.35 11.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.132 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 48.5 mt -74.6 -32.69 30.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.118 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 24.4 tptt -47.89 -46.36 31.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.904 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -52.89 -33.33 49.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.751 ' CE1' HD13 ' A' ' 118' ' ' LEU . 80.7 m-85 -88.41 -69.63 0.69 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.936 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -121.62 117.49 30.07 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.627 0.727 . . . . 0.0 110.879 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -13.6 34.81 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.684 2.256 . . . . 0.0 112.323 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.5 ptmt -94.75 -48.47 6.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 77.7 mmm -46.91 -35.79 6.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.409 ' CG1' ' HG2' ' A' ' 60' ' ' MET . 95.0 t -50.75 -63.34 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.116 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 59.33 49.79 8.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.444 ' HE3' ' CB ' ' A' ' 47' ' ' ALA . 7.3 mmt -84.17 61.29 6.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.878 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 17.4 m80 -119.5 -42.83 2.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.935 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.451 ' O ' HG23 ' A' ' 64' ' ' VAL . 0.4 OUTLIER -87.47 -52.05 5.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 -179.946 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 48.9 m-85 -44.83 147.58 0.63 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 62' ' ' ASN . 76.0 t -144.39 129.89 9.63 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.623 0.725 . . . . 0.0 111.116 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 107.84 1.94 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.696 2.264 . . . . 0.0 112.351 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -98.25 165.98 11.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.091 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 70.4 m-20 -100.17 -38.26 8.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.0 t -66.49 -176.24 0.44 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.447 HD22 ' HA ' ' A' ' 69' ' ' LEU . 1.5 tm? -92.88 -69.28 0.75 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.939 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.444 ' C ' ' O ' ' A' ' 69' ' ' LEU . 2.1 tm0? -34.49 -55.41 0.53 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 5.5 tm0? -42.77 -63.76 0.73 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -44.43 -55.3 5.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 15.5 mt -45.06 -42.16 8.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.928 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 9.8 t -55.75 -58.04 9.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.835 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -47.05 -56.97 5.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 45.5 m95 -43.59 -56.44 3.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -44.99 -37.97 5.75 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.512 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.479 ' CE1' ' HE2' ' A' ' 82' ' ' LYS . 3.2 t-160 -73.94 -40.95 62.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.804 0.335 . . . . 0.0 110.836 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 5.5 tp -63.75 -15.52 58.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.771 ' HA ' HD12 ' A' ' 84' ' ' LEU . 57.7 t-20 -81.91 -27.93 33.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 56.2 mtp180 -109.58 -5.37 15.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.479 ' HE2' ' CE1' ' A' ' 78' ' ' HIS . 15.2 mmtm -106.3 -37.46 6.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.426 ' O ' ' C ' ' A' ' 84' ' ' LEU . 87.4 t -112.02 -74.97 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.146 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.771 HD12 ' HA ' ' A' ' 80' ' ' ASN . 89.1 mt -34.87 -51.5 0.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -43.23 -56.25 3.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 179.816 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 14.6 mmm180 -57.34 -25.07 58.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.812 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.477 ' O ' ' CD ' ' A' ' 117' ' ' ARG . 15.9 mt -99.09 22.5 10.28 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.887 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 14.0 m-20 46.24 33.53 1.84 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.887 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -111.56 138.85 47.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.869 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.7 t -134.69 146.79 49.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 6.7 t -143.7 132.74 11.41 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.619 0.723 . . . . 0.0 111.134 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 -175.16 1.06 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.687 2.258 . . . . 0.0 112.365 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -83.31 -51.38 7.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -41.61 -41.34 2.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 42.9 t -68.26 -52.54 36.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.119 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 4.7 mtt -50.28 -41.56 50.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.93 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 54.5 mtp180 -58.69 -39.14 79.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 78.7 mttt -69.2 -53.62 19.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 66.3 mt -43.93 -63.93 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.099 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -56.82 -17.51 9.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.069 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 18.9 mm-40 -91.68 13.21 18.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.909 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 24.4 m 58.28 49.89 10.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.907 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -94.25 117.58 67.09 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.539 0.685 . . . . 0.0 111.07 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 143.61 51.15 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.635 2.224 . . . . 0.0 112.344 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 82.62 -13.88 39.26 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.487 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 90.9 t -83.99 -73.27 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.869 0.366 . . . . 0.0 111.159 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.405 HG13 ' N ' ' A' ' 108' ' ' GLU . 9.5 p -50.87 -39.58 19.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.155 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.521 ' HG3' HD21 ' A' ' 20' ' ' LEU . 8.0 mp0 -52.5 -48.09 66.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 33.4 mt -45.37 -24.16 0.27 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.934 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 74.9 t -91.95 -28.16 4.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.104 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 108' ' ' GLU . 95.2 mt -71.58 -40.59 69.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.537 ' N ' ' HD2' ' A' ' 113' ' ' PRO . 3.5 mt -50.77 -57.81 12.22 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.63 0.728 . . . . 0.0 111.128 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.537 ' HD2' ' N ' ' A' ' 112' ' ' ILE . 54.1 Cg_endo -69.77 -40.18 5.61 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.647 2.231 . . . . 0.0 112.342 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 25.3 tp -39.59 -54.25 2.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.7 ' CZ ' ' CD1' ' A' ' 23' ' ' TRP . 5.1 ttm180 -58.17 -59.36 5.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.935 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 115' ' ' ARG . 36.5 mt-30 -37.67 -51.57 1.23 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.477 ' CD ' ' O ' ' A' ' 87' ' ' LEU . 9.0 mtt-85 -64.04 -50.69 67.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.842 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.751 HD13 ' CE1' ' A' ' 53' ' ' TYR . 49.7 mt -51.1 -37.58 46.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.937 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -69.46 -32.92 72.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.946 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -77.63 -39.16 46.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 26.2 mmt-85 -61.81 -43.07 99.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 123' ' ' ARG . 10.9 tp60 -45.49 -33.86 2.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.423 ' HB2' ' NH1' ' A' ' 123' ' ' ARG . 0.5 OUTLIER -36.51 -42.32 0.34 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.865 -179.907 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 8.9 mpt_? -56.92 158.0 5.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.823 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -114.54 169.19 9.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.22 4.44 5.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.947 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.913 179.995 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 t -98.05 -49.8 4.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.884 0.373 . . . . 0.0 110.858 -179.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.6 t -168.51 173.86 7.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.889 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 41.41 43.72 3.81 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.462 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 86.4 p -56.18 161.82 2.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.855 0.36 . . . . 0.0 110.876 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 t -147.13 137.99 23.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.844 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.09 -122.45 0.64 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.502 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 44.9 tpp -101.38 158.67 15.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.799 0.333 . . . . 0.0 110.89 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -50.22 148.3 3.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.141 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 28.0 t -80.44 134.07 35.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.2 t -81.38 156.21 25.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.575 HG12 ' O ' ' A' ' 12' ' ' VAL . 18.7 t 61.95 37.74 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.096 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -46.67 173.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.851 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -51.35 -30.18 17.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -69.9 -49.48 51.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.889 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.461 ' CB ' ' HA ' ' A' ' 12' ' ' VAL . . . -44.26 -49.89 9.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.116 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 75.4 mt -61.32 -53.91 50.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 7.4 t-160 -41.39 -48.02 3.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 29.4 mm100 -45.39 -43.69 11.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.432 HD11 ' HB3' ' A' ' 111' ' ' LEU . 6.4 tp -70.95 -43.44 68.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -62.98 -21.86 66.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 81.2 mt -81.5 -34.56 31.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.94 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.418 ' CH2' HG11 ' A' ' 49' ' ' VAL . 20.5 t90 -58.73 -46.46 87.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.944 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 67.5 t -64.48 -27.34 42.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.106 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -47.75 -54.65 11.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.85 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -44.05 -33.94 1.61 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.884 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.477 ' CG2' ' HD2' ' A' ' 28' ' ' PRO . 3.1 mt -99.79 136.19 20.31 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.637 0.732 . . . . 0.0 111.157 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.477 ' HD2' ' CG2' ' A' ' 27' ' ' ILE . 54.2 Cg_endo -69.72 -91.59 0.01 OUTLIER 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.712 2.275 . . . . 0.0 112.35 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 26.9 mt 54.34 47.9 21.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.931 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 19.9 m -80.74 13.12 2.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.475 ' N ' ' HD2' ' A' ' 32' ' ' PRO . 39.0 mtt85 -41.86 -61.34 1.52 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.654 0.74 . . . . 0.0 110.889 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.475 ' HD2' ' N ' ' A' ' 31' ' ' ARG . 53.8 Cg_endo -69.77 -169.39 0.33 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.69 2.26 . . . . 0.0 112.362 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 56.7 mmtt -96.99 -176.16 3.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.9 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 20.9 mmt85 -38.18 -62.14 0.6 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.833 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -68.34 95.34 0.6 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.54 HD13 ' CD1' ' A' ' 40' ' ' PHE . 4.3 pp -75.99 -35.81 59.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.464 ' N ' HD12 ' A' ' 36' ' ' LEU . 21.0 t -46.46 -21.15 0.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.844 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 15.7 mtm180 -77.84 -43.78 29.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.846 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 40' ' ' PHE . 17.0 t0 -79.93 -57.22 3.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.88 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.54 ' CD1' HD13 ' A' ' 36' ' ' LEU . 9.5 m-85 -36.03 -40.36 0.2 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.859 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 40' ' ' PHE . 35.7 m -36.44 -60.18 0.6 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.836 -179.772 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -52.54 143.18 16.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -85.78 43.73 3.28 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.487 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 60.8 t -120.17 -66.38 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.862 0.363 . . . . 0.0 111.128 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 10.4 tp -52.75 -36.37 57.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 79.2 t -52.72 -39.53 31.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.111 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.51 -34.69 69.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.142 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -58.31 -47.51 83.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.46 HG13 ' CD1' ' A' ' 27' ' ' ILE . 84.9 t -48.15 -46.08 13.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.116 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.551 HG23 ' CD2' ' A' ' 118' ' ' LEU . 37.6 mt -62.7 -38.71 82.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.094 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.401 ' C ' ' HD2' ' A' ' 51' ' ' LYS . 0.5 OUTLIER -42.58 -54.61 3.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 179.86 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -39.32 -42.87 1.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.85 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 99.4 m-85 -86.98 -64.59 1.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.904 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.414 ' HA ' ' HD2' ' A' ' 55' ' ' PRO . 50.2 m-85 -112.93 89.17 13.08 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.666 0.746 . . . . 0.0 110.916 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 54' ' ' PHE . 53.9 Cg_endo -69.76 -2.53 10.32 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.729 2.286 . . . . 0.0 112.351 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 16.9 pttm -91.24 -52.94 4.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.937 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 18.3 mtm -47.9 -53.84 14.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.919 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 79.4 t -43.26 127.51 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.152 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -132.79 52.74 2.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.501 ' HE1' ' CB ' ' A' ' 63' ' ' TYR . 14.4 mmt -54.13 -14.98 1.25 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.835 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 60.5 m80 -44.83 -48.08 11.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.816 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.611 ' O ' HG23 ' A' ' 64' ' ' VAL . 8.0 p30 -88.5 -51.24 5.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.501 ' CB ' ' HE1' ' A' ' 60' ' ' MET . 71.4 m-85 -52.47 124.76 14.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.647 HG13 ' HD2' ' A' ' 65' ' ' PRO . 84.6 t -132.79 138.43 31.92 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.63 0.728 . . . . 0.0 111.15 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.647 ' HD2' HG13 ' A' ' 64' ' ' VAL . 53.9 Cg_endo -69.77 127.69 14.95 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.722 2.281 . . . . 0.0 112.311 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.419 ' CB ' ' HG2' ' A' ' 71' ' ' GLN . . . -129.96 173.93 10.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.06 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 58.7 m-20 -120.4 42.13 3.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 73.4 m -147.2 130.45 16.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 53.3 mt -48.55 -47.08 39.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.93 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -43.02 -51.76 5.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.419 ' HG2' ' CB ' ' A' ' 66' ' ' ALA . 55.4 tp60 -66.72 -51.25 58.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 42.8 mmtt -40.86 -61.94 0.89 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.624 HD21 ' HA ' ' A' ' 97' ' ' ARG . 19.1 mt -57.45 -50.13 74.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.937 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 34.0 t -42.45 -56.09 3.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 -54.21 -53.29 55.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 45.0 m95 -43.26 -62.86 0.93 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.892 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -41.36 -42.58 3.4 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.439 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 5.7 m170 -70.59 -40.46 73.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.809 0.338 . . . . 0.0 110.796 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 7.4 tp -69.29 -12.14 61.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.922 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.403 HD22 ' CE ' ' A' ' 96' ' ' MET . 31.5 t-20 -80.18 -33.08 38.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 44.8 mtt85 -105.06 -1.36 25.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 16.3 mttp -108.45 -30.06 8.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 67.7 t -115.22 -73.35 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.138 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 35.8 mt -41.96 -54.88 3.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 18.2 tttt -42.16 -42.68 3.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 21.4 mmt-85 -69.22 -36.16 76.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 16.6 mt -85.78 29.48 0.71 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.935 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 6.8 m120 42.74 25.87 0.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -100.64 174.84 5.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 30.4 m -165.55 129.97 2.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 15.8 t -128.15 132.99 24.66 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.61 0.719 . . . . 0.0 111.101 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 165.36 31.21 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.684 2.256 . . . . 0.0 112.362 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -77.7 -19.37 55.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.911 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -72.99 -32.93 65.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.849 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 18.7 t -80.82 -29.06 11.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.133 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.466 ' HA ' HD12 ' A' ' 99' ' ' ILE . 10.2 mtt -69.36 -49.7 53.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.889 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.624 ' HA ' HD21 ' A' ' 73' ' ' LEU . 15.5 ptt85 -47.35 -47.91 25.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.497 ' N ' ' CG ' ' A' ' 97' ' ' ARG . 32.1 mttm -55.84 -52.16 65.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.466 HD12 ' HA ' ' A' ' 96' ' ' MET . 54.5 mt -50.72 -55.94 5.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.132 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.85 -24.8 59.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.121 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 38.0 mm-40 -82.78 6.69 17.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.942 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 4.0 t 63.59 50.44 2.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -98.66 119.53 61.08 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.59 0.709 . . . . 0.0 111.15 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 131.42 21.23 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.676 2.251 . . . . 0.0 112.353 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 109.71 -63.88 0.27 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.49 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.5 t -43.17 -58.57 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.872 0.368 . . . . 0.0 111.149 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.568 HG13 ' N ' ' A' ' 108' ' ' GLU . 7.3 p -50.68 -50.26 23.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.144 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.568 ' N ' HG13 ' A' ' 107' ' ' VAL . 2.6 mp0 -51.72 -48.71 63.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.943 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 95.3 mt -51.0 -20.19 1.28 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.896 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 4.2 t -93.29 -26.7 4.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.116 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.432 ' HB3' HD11 ' A' ' 20' ' ' LEU . 91.1 mt -74.17 -37.38 64.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.535 ' N ' ' HD2' ' A' ' 113' ' ' PRO . 3.8 mt -55.63 -57.99 18.11 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.631 0.729 . . . . 0.0 111.085 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.535 ' HD2' ' N ' ' A' ' 112' ' ' ILE . 53.5 Cg_endo -69.75 -43.0 2.92 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.68 2.253 . . . . 0.0 112.316 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 4.6 tp -43.72 -50.49 7.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.425 ' HD3' ' C ' ' A' ' 115' ' ' ARG . 1.1 tmt_? -63.41 -44.62 94.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -53.76 -28.05 32.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -81.7 -57.6 3.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.863 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.551 ' CD2' HG23 ' A' ' 50' ' ' ILE . 21.2 mt -43.21 -45.61 5.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.958 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -61.94 -46.23 90.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -53.25 -50.13 65.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -59.49 -37.7 78.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -44.56 -68.2 0.22 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -64.48 -43.11 95.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.876 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 17.6 mtp180 -62.64 90.9 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -80.66 133.39 35.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.859 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -144.3 139.63 28.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 47.2 tt0 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 179.93 . . . . . . . . 0 0 . 1 stop_ save_